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

Systemtic Name: N-phenethyl-2-[4-(2-phenylsulfanylpyridin-3-yl)carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-phenethyl-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-phenethylacetamide IUPAC Name: N-phenethyl-2-[4-(2-phenylsulfanylpyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-phenethyl-2-[4-[2-(phenylthio)nicotinoyl]-1,4-diazepan-1-yl]acetamide Formula: C27H30N4O2S MolecularWeight: 474.6177

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)CC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)CC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H30N4O2S/c32-25(28-16-14-22-9-3-1-4-10-22)21-30-17-8-18-31(20-19-30)27(33)24-13-7-15-29-26(24)34-23-11-5-2-6-12-23/h1-7,9-13,15H,8,14,16-21H2,(H,28,32)