[(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoate

Systemtic Name: [(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoate Openeye Name: [(1S)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate CAS Name: 2-[[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]thio]acetic acid [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate Traditional Name: 2-[(4-methylpiperidine-1-carbothioyl)thio]acetic acid [(1S)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)SCC(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CC1CCN(CC1)C(=S)SCC(=O)O[C@@H](C)C(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C19H23N3O3S2/c1-13-6-8-22(9-7-13)19(26)27-12-17(23)25-14(2)18(24)21-16-5-3-4-15(10-16)11-20/h3-5,10,13-14H,6-9,12H2,1-2H3,(H,21,24)/t14-/m0/s1