Chem
J-GLOBAL ID:201707000362346889   Nikkaji number:J3.583.212B

3,3′,3′′-(Nitrilotrisethylene)tris(1-(3,4-dimethoxyphenyl)thiourea)

3,3′,3′′-(ニトリロトリスエチレン)トリス(1-(3,4-ジメトキシフェニル)チオ尿素)
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: C33H45N7O6S3
Molecular formula furigana: C33-H45-N7-O6-S3
Molecular weight: 731.950
InChI: InChI=1S/C33H45N7O6S3/c1-41-25-10-7-22(19-28(25)44-4)37-31(47)34-13-16-40(17-14-35-32(48)38-23-8-11-26(42-2)29(20-23)45-5)18-15-36-33(49)39-24-9-12-27(43-3)30(21-24)46-6/h7-12,19-21H,13-18H2,1-6H3,(H2,34,37,47)(H2,35,38,48)(H2,36,39,49)
InChI key: KPVJJYHQKXHALL-UHFFFAOYSA-N
SMILES: COc1ccc(NC(=S)NCCN(CCNC(=S)Nc2ccc(OC)c(OC)c2)CCNC(=S)Nc2ccc(OC)c(OC)c2)cc1OC
Systematic name  (3):
  • 3,3′,3′′-(ニトリロトリスエチレン)トリス(1-(3,4-ジメトキシフェニル)チオ尿素)
  • 1-{2-[ビス(2-{[(3,4-ジメトキシフェニル)カルバモチオイル]アミノ}エチル)アミノ]エチル}-3-(3,4-ジメトキシフェニル)チオ尿素
  • 1-{2-[bis(2-{[(3,4-dimethoxyphenyl)carbamothioyl]amino}ethyl)amino]ethyl}-3-(3,4-dimethoxyphenyl)thiourea
Other name (1):
  • 3,3′,3′′-(Nitrilotrisethylene)tris(1-(3,4-dimethoxyphenyl)thiourea)
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