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

Systemtic Name: 2-methylpropyl 2-[1-[2-(2-methylphenyl)ethanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC(C)C

Isomeric SMILES

CC1=CC=CC=C1CC(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC(C)C

InChI

InChI=1S/C20H27N3O4S/c1-13(2)12-27-18(25)11-16-19(26)21-8-9-23(16)20(28)22-17(24)10-15-7-5-4-6-14(15)3/h4-7,13,16H,8-12H2,1-3H3,(H,21,26)(H,22,24,28)