2-[4-(cyclooctylcarbamothioyl)-1,4-diazepan-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-(cyclooctylcarbamothioyl)-1,4-diazepan-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-(cyclooctylcarbamothioyl)-1,4-diazepan-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[(cyclooctylamino)-sulfanylidenemethyl]-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-(cyclooctylcarbamothioyl)-1,4-diazepan-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-(cyclooctylthiocarbamoyl)-1,4-diazepan-1-yl]-N-phenethyl-acetamide Formula: C24H38N4OS MolecularWeight: 430.64972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=S)N2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CCCC(CCC1)NC(=S)N2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C24H38N4OS/c29-23(25-15-14-21-10-5-4-6-11-21)20-27-16-9-17-28(19-18-27)24(30)26-22-12-7-2-1-3-8-13-22/h4-6,10-11,22H,1-3,7-9,12-20H2,(H,25,29)(H,26,30)