2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]pyridine-3-carboxamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]pyridine-3-carboxamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridyl]pyridine-3-carboxamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-3-pyridinecarboxamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]pyridine-3-carboxamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[6-(4-methylpiperazino)-3-pyridyl]nicotinamide Formula: C24H25N5O3S MolecularWeight: 463.552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=C(N=CC=C3)SC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H25N5O3S/c1-28-9-11-29(12-10-28)22-7-4-17(16-26-22)27-23(30)19-3-2-8-25-24(19)33-18-5-6-20-21(15-18)32-14-13-31-20/h2-8,15-16H,9-14H2,1H3,(H,27,30)