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

Systemtic Name: cyclohexyl 2-[3-oxidanylidene-1-(pentanoylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: cyclohexyl 2-[3-oxo-1-(pentanoylcarbamothioyl)piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[(1-oxopentylamino)-sulfanylidenemethyl]-2-piperazinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[3-oxo-1-(pentanoylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(valerylthiocarbamoyl)piperazin-2-yl]acetic acid cyclohexyl ester Formula: C18H29N3O4S MolecularWeight: 383.50556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OC2CCCCC2

Isomeric SMILES

CCCCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OC2CCCCC2

InChI

InChI=1S/C18H29N3O4S/c1-2-3-9-15(22)20-18(26)21-11-10-19-17(24)14(21)12-16(23)25-13-7-5-4-6-8-13/h13-14H,2-12H2,1H3,(H,19,24)(H,20,22,26)