N-(3,5-dimethylphenyl)-2-[[2-(4-methylpiperazin-1-yl)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[[2-(4-methylpiperazin-1-yl)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[[2-(4-methylpiperazin-1-yl)-4-pyridyl]methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[[2-(4-methyl-1-piperazinyl)-4-pyridinyl]methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[[2-(4-methylpiperazin-1-yl)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[[2-(4-methylpiperazino)-4-pyridyl]methylthio]nicotinamide Formula: C25H29N5OS MolecularWeight: 447.59566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)N4CCN(CC4)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)N4CCN(CC4)C)C

InChI

InChI=1S/C25H29N5OS/c1-18-13-19(2)15-21(14-18)28-24(31)22-5-4-7-27-25(22)32-17-20-6-8-26-23(16-20)30-11-9-29(3)10-12-30/h4-8,13-16H,9-12,17H2,1-3H3,(H,28,31)