N-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]methyl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]methyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[[6-(4-ethylpiperazin-1-yl)-3-pyridyl]methyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[[6-(4-ethyl-1-piperazinyl)-3-pyridinyl]methyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]methyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[[6-(4-ethylpiperazino)-3-pyridyl]methyl]-2-(phenylthio)nicotinamide Formula: C24H27N5OS MolecularWeight: 433.56908

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

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