[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate CAS Name: 2-[[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]thio]acetic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate Traditional Name: 2-[(4-methylpiperidine-1-carbothioyl)thio]acetic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C18H23FN2O3S2 MolecularWeight: 398.515223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23FN2O3S2/c1-12-5-7-21(8-6-12)18(25)26-11-17(23)24-10-16(22)20-14-4-3-13(2)15(19)9-14/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,20,22)