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

Systemtic Name: N-(3,5-dimethylphenyl)-2-[[2-(4-ethanoylpiperazin-1-yl)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Openeye Name: 2-[[2-(4-acetylpiperazin-1-yl)-4-pyridyl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide CAS Name: 2-[[2-(4-acetyl-1-piperazinyl)-4-pyridinyl]methylthio]-N-(3,5-dimethylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[[2-(4-acetylpiperazin-1-yl)pyridin-4-yl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Traditional Name: 2-[[2-(4-acetylpiperazino)-4-pyridyl]methylthio]-N-(3,5-dimethylphenyl)nicotinamide Formula: C26H29N5O2S MolecularWeight: 475.60576

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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(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O2S/c1-18-13-19(2)15-22(14-18)29-25(33)23-5-4-7-28-26(23)34-17-21-6-8-27-24(16-21)31-11-9-30(10-12-31)20(3)32/h4-8,13-16H,9-12,17H2,1-3H3,(H,29,33)