[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O4S/c21-16-8-10-17(11-9-16)28-12-4-7-19(25)27-14-18(24)23-20(26)22-13-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2,(H2,22,23,24,26)