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

Systemtic Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]pyridine-3-carboxamide Openeye Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(4-methylpiperazin-1-yl)-4-pyridyl]pyridine-3-carboxamide CAS Name: 2-[(2,4-dimethoxyphenyl)methylthio]-N-[2-(4-methyl-1-piperazinyl)-4-pyridinyl]-3-pyridinecarboxamide IUPAC Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-N-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]pyridine-3-carboxamide Traditional Name: 2-[(2,4-dimethoxybenzyl)thio]-N-[2-(4-methylpiperazino)-4-pyridyl]nicotinamide Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=CC(=C2)NC(=O)C3=C(N=CC=C3)SCC4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CN1CCN(CC1)C2=NC=CC(=C2)NC(=O)C3=C(N=CC=C3)SCC4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C25H29N5O3S/c1-29-11-13-30(14-12-29)23-15-19(8-10-26-23)28-24(31)21-5-4-9-27-25(21)34-17-18-6-7-20(32-2)16-22(18)33-3/h4-10,15-16H,11-14,17H2,1-3H3,(H,26,28,31)