N-(2-chlorophenyl)-2-[4-(2-phenylsulfanylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-(2-phenylsulfanylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(2-phenylsulfanylpyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[oxo-[2-(phenylthio)-3-pyridinyl]methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(2-phenylsulfanylpyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-[2-(phenylthio)nicotinoyl]-1,4-diazepan-1-yl]acetamide Formula: C25H25ClN4O2S MolecularWeight: 481.0096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)CC(=O)NC4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)CC(=O)NC4=CC=CC=C4Cl

InChI

InChI=1S/C25H25ClN4O2S/c26-21-11-4-5-12-22(21)28-23(31)18-29-14-7-15-30(17-16-29)25(32)20-10-6-13-27-24(20)33-19-8-2-1-3-9-19/h1-6,8-13H,7,14-18H2,(H,28,31)