[2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoate

Systemtic Name: [2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoate Openeye Name: [2-(4-chloro-2-fluoro-anilino)-2-oxo-ethyl] 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate CAS Name: 2-[[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]thio]acetic acid [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate Traditional Name: 2-[(4-methylpiperidine-1-carbothioyl)thio]acetic acid [2-(4-chloro-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C17H20ClFN2O3S2 MolecularWeight: 418.933703

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)SCC(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)F

Isomeric SMILES

CC1CCN(CC1)C(=S)SCC(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)F

InChI

InChI=1S/C17H20ClFN2O3S2/c1-11-4-6-21(7-5-11)17(25)26-10-16(23)24-9-15(22)20-14-3-2-12(18)8-13(14)19/h2-3,8,11H,4-7,9-10H2,1H3,(H,20,22)