phenethyl 2-[1-(ethanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: phenethyl 2-[1-(ethanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[1-(acetylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[acetamido(sulfanylidene)methyl]-3-oxo-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[1-(acetylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(acetylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid phenethyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C17H21N3O4S/c1-12(21)19-17(25)20-9-8-18-16(23)14(20)11-15(22)24-10-7-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3,(H,18,23)(H,19,21,25)