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

Systemtic Name: 4,6-dimethyl-1-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-2-sulfanylidene-pyridine-3-carboxamide Openeye Name: 4,6-dimethyl-1-[[4-(o-tolylmethyl)piperazin-1-yl]methyl]-2-thioxo-pyridine-3-carboxamide CAS Name: 4,6-dimethyl-1-[[4-[(2-methylphenyl)methyl]-1-piperazinyl]methyl]-2-sulfanylidene-3-pyridinecarboxamide IUPAC Name: 4,6-dimethyl-1-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-2-sulfanylidenepyridine-3-carboxamide Traditional Name: 4,6-dimethyl-1-[[4-(2-methylbenzyl)piperazino]methyl]-2-thioxo-nicotinamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)CN3C(=CC(=C(C3=S)C(=O)N)C)C

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)CN3C(=CC(=C(C3=S)C(=O)N)C)C

InChI

InChI=1S/C21H28N4OS/c1-15-6-4-5-7-18(15)13-23-8-10-24(11-9-23)14-25-17(3)12-16(2)19(20(22)26)21(25)27/h4-7,12H,8-11,13-14H2,1-3H3,(H2,22,26)