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

Systemtic Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoate Openeye Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl] 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate CAS Name: 2-[[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]thio]acetic acid [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] 2-(4-methylpiperidine-1-carbothioyl)sulfanylacetate Traditional Name: 2-[(4-methylpiperidine-1-carbothioyl)thio]acetic acid [2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl] ester Formula: C20H29N3O3S2 MolecularWeight: 423.59256

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)SCC(=O)OCC(=O)NCC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC1CCN(CC1)C(=S)SCC(=O)OCC(=O)NCC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C20H29N3O3S2/c1-15-8-10-23(11-9-15)20(27)28-14-19(25)26-13-18(24)21-12-16-4-6-17(7-5-16)22(2)3/h4-7,15H,8-14H2,1-3H3,(H,21,24)