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

Systemtic Name: N-phenethyl-2-[4-(2-phenyl-2-phenylsulfanyl-ethanoyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-phenethyl-2-[4-(2-phenyl-2-phenylsulfanyl-acetyl)-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[1-oxo-2-phenyl-2-(phenylthio)ethyl]-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: N-phenethyl-2-[4-(2-phenyl-2-phenylsulfanylacetyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-phenethyl-2-[4-[2-phenyl-2-(phenylthio)acetyl]-1,4-diazepan-1-yl]acetamide Formula: C29H33N3O2S MolecularWeight: 487.65622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33N3O2S/c33-27(30-18-17-24-11-4-1-5-12-24)23-31-19-10-20-32(22-21-31)29(34)28(25-13-6-2-7-14-25)35-26-15-8-3-9-16-26/h1-9,11-16,28H,10,17-23H2,(H,30,33)