N-(2,6-diethylphenyl)-2-[4-(2-phenylsulfanylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[4-(2-phenylsulfanylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[4-(2-phenylsulfanylpyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[4-[oxo-[2-(phenylthio)-3-pyridinyl]methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[4-(2-phenylsulfanylpyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[4-[2-(phenylthio)nicotinoyl]-1,4-diazepan-1-yl]acetamide Formula: C29H34N4O2S MolecularWeight: 502.67086

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C29H34N4O2S/c1-3-22-11-8-12-23(4-2)27(22)31-26(34)21-32-17-10-18-33(20-19-32)29(35)25-15-9-16-30-28(25)36-24-13-6-5-7-14-24/h5-9,11-16H,3-4,10,17-21H2,1-2H3,(H,31,34)