3-phenylpropyl 2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: 3-phenylpropyl 2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: 3-phenylpropyl 2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid 3-phenylpropyl ester Formula: C21H24ClNO3S MolecularWeight: 405.93816

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCCCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CSCCC(C(=O)OCCCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H24ClNO3S/c1-27-15-13-19(23-20(24)17-9-11-18(22)12-10-17)21(25)26-14-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,19H,5,8,13-15H2,1H3,(H,23,24)