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

Systemtic Name: phenethyl 2-[1-[2-(2-methylphenyl)ethanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[1-[[2-(o-tolyl)acetyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[2-(2-methylphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[1-[[2-(2-methylphenyl)acetyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[[2-(o-tolyl)acetyl]thiocarbamoyl]piperazin-2-yl]acetic acid phenethyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CC(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O4S/c1-17-7-5-6-10-19(17)15-21(28)26-24(32)27-13-12-25-23(30)20(27)16-22(29)31-14-11-18-8-3-2-4-9-18/h2-10,20H,11-16H2,1H3,(H,25,30)(H,26,28,32)