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

Systemtic Name: N-phenyl-2-[4-(2-phenylsulfanylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-phenyl-2-[4-(2-phenylsulfanylpyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[oxo-[2-(phenylthio)-3-pyridinyl]methyl]-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: N-phenyl-2-[4-(2-phenylsulfanylpyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-phenyl-2-[4-[2-(phenylthio)nicotinoyl]-1,4-diazepan-1-yl]acetamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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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=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O2S/c30-23(27-20-9-3-1-4-10-20)19-28-15-8-16-29(18-17-28)25(31)22-13-7-14-26-24(22)32-21-11-5-2-6-12-21/h1-7,9-14H,8,15-19H2,(H,27,30)