[(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoate

Systemtic Name: [(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoate Openeye Name: [(1R)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate CAS Name: 2-[[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]thio]acetic acid [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate Traditional Name: 2-[(4-methylpiperidine-1-carbothioyl)thio]acetic acid [(1R)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H26N2O4S2 MolecularWeight: 422.56144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S2/c1-13-8-10-22(11-9-13)20(27)28-12-18(24)26-15(3)19(25)21-17-6-4-16(5-7-17)14(2)23/h4-7,13,15H,8-12H2,1-3H3,(H,21,25)/t15-/m1/s1