N-(2,6-diethylphenyl)-2-[4-(2-phenyl-2-phenylsulfanyl-ethanoyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[4-(2-phenyl-2-phenylsulfanyl-ethanoyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[4-(2-phenyl-2-phenylsulfanyl-acetyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[4-[1-oxo-2-phenyl-2-(phenylthio)ethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[4-(2-phenyl-2-phenylsulfanylacetyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[4-[2-phenyl-2-(phenylthio)acetyl]-1,4-diazepan-1-yl]acetamide Formula: C31H37N3O2S MolecularWeight: 515.70938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H37N3O2S/c1-3-24-15-11-16-25(4-2)29(24)32-28(35)23-33-19-12-20-34(22-21-33)31(36)30(26-13-7-5-8-14-26)37-27-17-9-6-10-18-27/h5-11,13-18,30H,3-4,12,19-23H2,1-2H3,(H,32,35)