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

Systemtic Name: cyclohexyl 2-[1-(3-methylbutanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: cyclohexyl 2-[1-(3-methylbutanoylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[1-(3-methylbutanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(isovalerylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid cyclohexyl ester Formula: C18H29N3O4S MolecularWeight: 383.50556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O4S/c1-12(2)10-15(22)20-18(26)21-9-8-19-17(24)14(21)11-16(23)25-13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3,(H,19,24)(H,20,22,26)