propan-2-yl 2-[1-(3-cyclohexylpropanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: propan-2-yl 2-[1-(3-cyclohexylpropanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopropyl 2-[1-(3-cyclohexylpropanoylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[(3-cyclohexyl-1-oxopropyl)amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[1-(3-cyclohexylpropanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-cyclohexylpropanoylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid isopropyl ester Formula: C19H31N3O4S MolecularWeight: 397.53214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC2CCCCC2

Isomeric SMILES

CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC2CCCCC2

InChI

InChI=1S/C19H31N3O4S/c1-13(2)26-17(24)12-15-18(25)20-10-11-22(15)19(27)21-16(23)9-8-14-6-4-3-5-7-14/h13-15H,3-12H2,1-2H3,(H,20,25)(H,21,23,27)