[(2S)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoate

Systemtic Name: [(2S)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoate Openeye Name: [(1S)-2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate CAS Name: 2-[[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]thio]acetic acid [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate Traditional Name: 2-[(4-methylpiperidine-1-carbothioyl)thio]acetic acid [(1S)-2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H28N2O3S2 MolecularWeight: 408.57792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O3S2/c1-13-7-9-22(10-8-13)20(26)27-12-18(23)25-16(4)19(24)21-17-11-14(2)5-6-15(17)3/h5-6,11,13,16H,7-10,12H2,1-4H3,(H,21,24)/t16-/m0/s1