[3-oxidanylidene-3-[(phenylmethyl)carbamoylamino]propyl] 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: [3-oxidanylidene-3-[(phenylmethyl)carbamoylamino]propyl] 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: [3-(benzylcarbamoylamino)-3-oxo-propyl] 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid [3-oxo-3-[[oxo-[(phenylmethyl)amino]methyl]amino]propyl] ester IUPAC Name: [3-(benzylcarbamoylamino)-3-oxopropyl] 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid [3-(benzylcarbamoylamino)-3-keto-propyl] ester Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC(=O)CCOC(=O)CCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC(=O)CCOC(=O)CCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H23ClN2O4S/c22-17-8-10-18(11-9-17)29-14-4-7-20(26)28-13-12-19(25)24-21(27)23-15-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-15H2,(H2,23,24,25,27)