methyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]carbamothioylamino]butanoate CAS Name: 4-[[[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(3,4-dimethoxyphenyl)ethylcarbamothioylamino]carbamothioylamino]butanoate Traditional Name: 4-[(homoveratrylthiocarbamoylamino)thiocarbamoylamino]butyric acid methyl ester Formula: C17H26N4O4S2 MolecularWeight: 414.54274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=S)NCCCC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=S)NCCCC(=O)OC)OC

InChI

InChI=1S/C17H26N4O4S2/c1-23-13-7-6-12(11-14(13)24-2)8-10-19-17(27)21-20-16(26)18-9-4-5-15(22)25-3/h6-7,11H,4-5,8-10H2,1-3H3,(H2,18,20,26)(H2,19,21,27)