[(2R)-1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoate

Systemtic Name: [(2R)-1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoate Openeye Name: [(1R)-2-[(5-chloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl] 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate CAS Name: 2-[[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]thio]acetic acid [(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate Traditional Name: 2-[(4-methylpiperidine-1-carbothioyl)thio]acetic acid [(1R)-2-[(5-chloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H22ClN3O3S2 MolecularWeight: 415.95788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN3O3S2/c1-11-5-7-21(8-6-11)17(25)26-10-15(22)24-12(2)16(23)20-14-4-3-13(18)9-19-14/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,19,20,23)/t12-/m1/s1