[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate CAS Name: 2-[[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]thio]acetic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate Traditional Name: 2-[(4-methylpiperidine-1-carbothioyl)thio]acetic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C19H26N2O3S2 MolecularWeight: 394.55134

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)SCC(=O)OCC(=O)NCC2=CC=CC=C2C

Isomeric SMILES

CC1CCN(CC1)C(=S)SCC(=O)OCC(=O)NCC2=CC=CC=C2C

InChI

InChI=1S/C19H26N2O3S2/c1-14-7-9-21(10-8-14)19(25)26-13-18(23)24-12-17(22)20-11-16-6-4-3-5-15(16)2/h3-6,14H,7-13H2,1-2H3,(H,20,22)