propan-2-yl 2-[(2R)-1-[(4-methylphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: propan-2-yl 2-[(2R)-1-[(4-methylphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopropyl 2-[(2R)-1-[(4-methylbenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2R)-1-[[[(4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(2R)-1-[(4-methylbenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-1-(p-toluoylthiocarbamoyl)piperazin-2-yl]acetic acid isopropyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)[C@H]2CC(=O)OC(C)C

InChI

InChI=1S/C18H23N3O4S/c1-11(2)25-15(22)10-14-17(24)19-8-9-21(14)18(26)20-16(23)13-6-4-12(3)5-7-13/h4-7,11,14H,8-10H2,1-3H3,(H,19,24)(H,20,23,26)/t14-/m1/s1