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

Systemtic Name: N-[[2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-yl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridyl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[[2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridyl]methyl]-2-(methylthio)nicotinamide Formula: C19H25N5OS MolecularWeight: 371.4997

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=C(C=CC=N2)CNC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

CN1CCCN(CC1)C2=C(C=CC=N2)CNC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C19H25N5OS/c1-23-10-5-11-24(13-12-23)17-15(6-3-8-20-17)14-22-18(25)16-7-4-9-21-19(16)26-2/h3-4,6-9H,5,10-14H2,1-2H3,(H,22,25)