2-[4-(2-acetamido-3-phenylsulfanyl-propanoyl)-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)ethanamide

Systemtic Name: 2-[4-(2-acetamido-3-phenylsulfanyl-propanoyl)-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)ethanamide Openeye Name: 2-[4-(2-acetamido-3-phenylsulfanyl-propanoyl)-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide CAS Name: 2-[4-[2-acetamido-1-oxo-3-(phenylthio)propyl]-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide IUPAC Name: 2-[4-(2-acetamido-3-phenylsulfanylpropanoyl)-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide Traditional Name: 2-[4-[2-acetamido-3-(phenylthio)propanoyl]-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide Formula: C28H38N4O3S MolecularWeight: 510.69132

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(CSC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=O)C(CSC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C28H38N4O3S/c1-4-22-11-9-12-23(5-2)27(22)30-26(34)19-31-15-10-16-32(18-17-31)28(35)25(29-21(3)33)20-36-24-13-7-6-8-14-24/h6-9,11-14,25H,4-5,10,15-20H2,1-3H3,(H,29,33)(H,30,34)