methyl 4-[[methyl-[2-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[methyl-[2-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[[2-(benzylcarbamoyl)phenyl]-methyl-carbamothioyl]amino]-4-oxo-butanoate CAS Name: 4-[[[N-methyl-2-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[[2-(benzylcarbamoyl)phenyl]-methylcarbamothioyl]amino]-4-oxobutanoate Traditional Name: 4-[[[2-(benzylcarbamoyl)phenyl]-methyl-thiocarbamoyl]amino]-4-keto-butyric acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NCC2=CC=CC=C2)C(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCC2=CC=CC=C2)C(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C21H23N3O4S/c1-24(21(29)23-18(25)12-13-19(26)28-2)17-11-7-6-10-16(17)20(27)22-14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,22,27)(H,23,25,29)