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

Systemtic Name: N-(3,5-dimethylphenyl)-2-[(2-piperazin-1-ylpyridin-4-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[(2-piperazin-1-yl-4-pyridyl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[[2-(1-piperazinyl)-4-pyridinyl]methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[(2-piperazin-1-ylpyridin-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[(2-piperazino-4-pyridyl)methylthio]nicotinamide Formula: C24H27N5OS MolecularWeight: 433.56908

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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)N4CCNCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)N4CCNCC4)C

InChI

InChI=1S/C24H27N5OS/c1-17-12-18(2)14-20(13-17)28-23(30)21-4-3-6-27-24(21)31-16-19-5-7-26-22(15-19)29-10-8-25-9-11-29/h3-7,12-15,25H,8-11,16H2,1-2H3,(H,28,30)