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

Systemtic Name: N-[3-chloranyl-4-(1,4-diazepan-1-ylcarbonyl)phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[3-chloro-4-(1,4-diazepane-1-carbonyl)phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[3-chloro-4-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[3-chloro-4-(1,4-diazepane-1-carbonyl)phenyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[3-chloro-4-(1,4-diazepane-1-carbonyl)phenyl]-2-(phenylthio)nicotinamide Formula: C24H23ClN4O2S MolecularWeight: 466.98302

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=C(C=C(C=C2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4)Cl

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=C(C=C(C=C2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4)Cl

InChI

InChI=1S/C24H23ClN4O2S/c25-21-16-17(9-10-19(21)24(31)29-14-5-11-26-13-15-29)28-22(30)20-8-4-12-27-23(20)32-18-6-2-1-3-7-18/h1-4,6-10,12,16,26H,5,11,13-15H2,(H,28,30)