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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)CN3C(=CC(=C(C3=S)C(=O)N)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)CN3C(=CC(=C(C3=S)C(=O)N)C)C

InChI

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