ethyl 2-[1-[3-(2-chlorophenyl)propanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[1-[3-(2-chlorophenyl)propanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[1-[3-(2-chlorophenyl)propanoylcarbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[3-(2-chlorophenyl)-1-oxopropyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[3-(2-chlorophenyl)propanoylcarbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[3-(2-chlorophenyl)propanoylthiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid ethyl ester Formula: C18H22ClN3O4S MolecularWeight: 411.90298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC2=CC=CC=C2Cl

Isomeric SMILES

CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC2=CC=CC=C2Cl

InChI

InChI=1S/C18H22ClN3O4S/c1-2-26-16(24)11-14-17(25)20-9-10-22(14)18(27)21-15(23)8-7-12-5-3-4-6-13(12)19/h3-6,14H,2,7-11H2,1H3,(H,20,25)(H,21,23,27)