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

Systemtic Name: propyl 4-[[2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 4-[[2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoyl]amino]benzoate Traditional Name: 4-[[2-[(2-chlorobenzoyl)amino]-4-(methylthio)butanoyl]amino]benzoic acid propyl ester Formula: C22H25ClN2O4S MolecularWeight: 448.9629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O4S/c1-3-13-29-22(28)15-8-10-16(11-9-15)24-21(27)19(12-14-30-2)25-20(26)17-6-4-5-7-18(17)23/h4-11,19H,3,12-14H2,1-2H3,(H,24,27)(H,25,26)