Chem
J-GLOBAL ID:200907079839233634   Nikkaji number:J1.302.738B

4-(Diphenylmethyl)-1-[4-[[(2R)-2-[[[2-[[2-(dimethylamino)ethyl](methyl)amino]ethyl]amino]carbonyl]pyrrolidine-1-yl]sulfonyl]-2-nitrophenyl]thiosemicarbazide

(2R)-N-(2-{[2-(ジメチルアミノ)エチル](メチル)アミノ}エチル)-1-[4-({[(ジフェニルメチル)カルバモチオイル]アミノ}アミノ)-3-ニトロベンゼンスルホニル]ピロリジン-2-カルボキサミド
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C32H42N7[N+]O4[O-]S2
Molecular formula furigana: C32-H42-N8-O5-S2
Molecular weight: 682.860
InChI: InChI=1S/C32H42N8O5S2/c1-37(2)21-22-38(3)20-18-33-31(41)28-15-10-19-39(28)47(44,45)26-16-17-27(29(23-26)40(42)43)35-36-32(46)34-30(24-11-6-4-7-12-24)25-13-8-5-9-14-25/h4-9,11-14,16-17,23,28,30,35H,10,15,18-22H2,1-3H3,(H,33,41)(H2,34,36,46)/t28-/m1/s1
InChI key: ZIBIVIRBYMBEHZ-MUUNZHRXSA-N
SMILES: CN(C)CCN(C)CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(NNC(=S)NC(c2ccccc2)c2ccccc2)c(c1)[N+](=O)[O-]
Systematic name  (3):
  • 4-(ジフェニルメチル)-1-[4-[[(2R)-2-[[[2-[[2-(ジメチルアミノ)エチル](メチル)アミノ]エチル]アミノ]カルボニル]ピロリジン-1-イル]スルホニル]-2-ニトロフェニル]チオセミカルバジド
  • (2R)-N-(2-{[2-(ジメチルアミノ)エチル](メチル)アミノ}エチル)-1-[4-({[(ジフェニルメチル)カルバモチオイル]アミノ}アミノ)-3-ニトロベンゼンスルホニル]ピロリジン-2-カルボキサミド
  • (2R)-N-(2-{[2-(dimethylamino)ethyl](methyl)amino}ethyl)-1-[4-({[(diphenylmethyl)carbamothioyl]amino}amino)-3-nitrobenzenesulfonyl]pyrrolidine-2-carboxamide
Other name (1):
  • 4-(Diphenylmethyl)-1-[4-[[(2R)-2-[[[2-[[2-(dimethylamino)ethyl](methyl)amino]ethyl]amino]carbonyl]pyrrolidine-1-yl]sulfonyl]-2-nitrophenyl]thiosemicarbazide
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