butyl 4-[[2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]benzoate

Systemtic Name: butyl 4-[[2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]benzoate Openeye Name: butyl 4-[[2-[(2-chlorobenzoyl)amino]-4-methylsulfanyl-butanoyl]amino]benzoate CAS Name: 4-[[2-[[(2-chlorophenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoyl]amino]benzoate Traditional Name: 4-[[2-[(2-chlorobenzoyl)amino]-4-(methylthio)butanoyl]amino]benzoic acid butyl ester Formula: C23H27ClN2O4S MolecularWeight: 462.98948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C23H27ClN2O4S/c1-3-4-14-30-23(29)16-9-11-17(12-10-16)25-22(28)20(13-15-31-2)26-21(27)18-7-5-6-8-19(18)24/h5-12,20H,3-4,13-15H2,1-2H3,(H,25,28)(H,26,27)