[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate CAS Name: 2-[[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]thio]acetic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate Traditional Name: 2-[(4-methylpiperidine-1-carbothioyl)thio]acetic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C17H25N3O3S2 MolecularWeight: 383.5287

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)SCC(=O)OCC(=O)NC2(CCCC2)C#N

Isomeric SMILES

CC1CCN(CC1)C(=S)SCC(=O)OCC(=O)NC2(CCCC2)C#N

InChI

InChI=1S/C17H25N3O3S2/c1-13-4-8-20(9-5-13)16(24)25-11-15(22)23-10-14(21)19-17(12-18)6-2-3-7-17/h13H,2-11H2,1H3,(H,19,21)