N-[4-(1,4-diazepan-1-ylcarbonyl)-2-methyl-phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[4-(1,4-diazepan-1-ylcarbonyl)-2-methyl-phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[4-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-methylphenyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[4-(1,4-diazepane-1-carbonyl)-2-methylphenyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[4-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]-2-(phenylthio)nicotinamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCCNCC2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCCNCC2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O2S/c1-18-17-19(25(31)29-15-6-12-26-14-16-29)10-11-22(18)28-23(30)21-9-5-13-27-24(21)32-20-7-3-2-4-8-20/h2-5,7-11,13,17,26H,6,12,14-16H2,1H3,(H,28,30)