methyl 4-[[[3-(4-methylphenyl)thiophen-2-yl]carbonylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[[3-(4-methylphenyl)thiophen-2-yl]carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[3-(p-tolyl)thiophene-2-carbonyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[[3-(4-methylphenyl)-2-thiophenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[3-(p-tolyl)thiophene-2-carbonyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)NNC(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)NNC(=S)NCCCC(=O)OC

InChI

InChI=1S/C18H21N3O3S2/c1-12-5-7-13(8-6-12)14-9-11-26-16(14)17(23)20-21-18(25)19-10-3-4-15(22)24-2/h5-9,11H,3-4,10H2,1-2H3,(H,20,23)(H2,19,21,25)