[1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: 1-[(4-acetylphenyl)carbamoyl]propyl 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [1-(4-acetylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-acetylanilino)-1-oxobutan-2-yl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid 1-[(4-acetylphenyl)carbamoyl]propyl ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C24H28N2O5S/c1-4-21(23(29)25-19-12-10-17(11-13-19)16(2)27)31-24(30)20(14-15-32-3)26-22(28)18-8-6-5-7-9-18/h5-13,20-21H,4,14-15H2,1-3H3,(H,25,29)(H,26,28)