[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate CAS Name: 2-[[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]thio]acetic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate Traditional Name: 2-[(4-methylpiperidine-1-carbothioyl)thio]acetic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S2/c1-13-6-8-21(9-7-13)18(25)26-12-17(23)24-11-16(22)20-15-4-2-14(10-19)3-5-15/h2-5,13H,6-9,11-12H2,1H3,(H,20,22)