cyclohexyl 2-[1-(2-methylpropanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: cyclohexyl 2-[1-(2-methylpropanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: cyclohexyl 2-[1-(2-methylpropanoylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[1-(2-methylpropanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(isobutyrylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid cyclohexyl ester Formula: C17H27N3O4S MolecularWeight: 369.47898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(=S)N1CCNC(=O)C1CC(=O)OC2CCCCC2

Isomeric SMILES

CC(C)C(=O)NC(=S)N1CCNC(=O)C1CC(=O)OC2CCCCC2

InChI

InChI=1S/C17H27N3O4S/c1-11(2)15(22)19-17(25)20-9-8-18-16(23)13(20)10-14(21)24-12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3,(H,18,23)(H,19,22,25)