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

Systemtic Name: phenethyl 4-[[methyl-[2-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]amino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 4-[[[2-(benzylcarbamoyl)phenyl]-methylcarbamothioyl]amino]-4-oxobutanoate Traditional Name: 4-[[[2-(benzylcarbamoyl)phenyl]-methyl-thiocarbamoyl]amino]-4-keto-butyric acid phenethyl ester Formula: C28H29N3O4S MolecularWeight: 503.61256

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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)OCCC3=CC=CC=C3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCC2=CC=CC=C2)C(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C28H29N3O4S/c1-31(24-15-9-8-14-23(24)27(34)29-20-22-12-6-3-7-13-22)28(36)30-25(32)16-17-26(33)35-19-18-21-10-4-2-5-11-21/h2-15H,16-20H2,1H3,(H,29,34)(H,30,32,36)