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

Systemtic Name: 3-phenylpropyl 4-[[methyl-[2-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]amino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 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 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[[2-(benzylcarbamoyl)phenyl]-methylcarbamothioyl]amino]-4-oxobutanoate Traditional Name: 4-[[[2-(benzylcarbamoyl)phenyl]-methyl-thiocarbamoyl]amino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C29H31N3O4S MolecularWeight: 517.63914

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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)OCCCC3=CC=CC=C3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCC2=CC=CC=C2)C(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C29H31N3O4S/c1-32(25-17-9-8-16-24(25)28(35)30-21-23-13-6-3-7-14-23)29(37)31-26(33)18-19-27(34)36-20-10-15-22-11-4-2-5-12-22/h2-9,11-14,16-17H,10,15,18-21H2,1H3,(H,30,35)(H,31,33,37)