4,6-dimethyl-1-[[4-(phenylcarbamoyl)piperidin-1-yl]methyl]-2-sulfanylidene-pyridine-3-carboxamide

Systemtic Name: 4,6-dimethyl-1-[[4-(phenylcarbamoyl)piperidin-1-yl]methyl]-2-sulfanylidene-pyridine-3-carboxamide Openeye Name: 4,6-dimethyl-1-[[4-(phenylcarbamoyl)-1-piperidyl]methyl]-2-thioxo-pyridine-3-carboxamide CAS Name: 1-[[4-[anilino(oxo)methyl]-1-piperidinyl]methyl]-4,6-dimethyl-2-sulfanylidene-3-pyridinecarboxamide IUPAC Name: 4,6-dimethyl-1-[[4-(phenylcarbamoyl)piperidin-1-yl]methyl]-2-sulfanylidenepyridine-3-carboxamide Traditional Name: 4,6-dimethyl-1-[[4-(phenylcarbamoyl)piperidino]methyl]-2-thioxo-nicotinamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=S)N1CN2CCC(CC2)C(=O)NC3=CC=CC=C3)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C(=S)N1CN2CCC(CC2)C(=O)NC3=CC=CC=C3)C(=O)N)C

InChI

InChI=1S/C21H26N4O2S/c1-14-12-15(2)25(21(28)18(14)19(22)26)13-24-10-8-16(9-11-24)20(27)23-17-6-4-3-5-7-17/h3-7,12,16H,8-11,13H2,1-2H3,(H2,22,26)(H,23,27)