[2-oxidanylidene-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(2-chlorophenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(2-chlorophenyl)sulfanylethanoate Openeye Name: [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(2-chlorophenyl)sulfanylacetate CAS Name: 2-[(2-chlorophenyl)thio]acetic acid [2-[4-[anilino(oxo)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-(2-chlorophenyl)sulfanylacetate Traditional Name: 2-[(2-chlorophenyl)thio]acetic acid [2-keto-2-[4-(phenylcarbamoyl)piperazino]ethyl] ester Formula: C21H22ClN3O4S MolecularWeight: 447.93508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)CSC2=CC=CC=C2Cl)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)CSC2=CC=CC=C2Cl)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H22ClN3O4S/c22-17-8-4-5-9-18(17)30-15-20(27)29-14-19(26)24-10-12-25(13-11-24)21(28)23-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,23,28)