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

Systemtic Name: 2-[4-(cyclooctylcarbamothioyl)-1,4-diazepan-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-(cyclooctylcarbamothioyl)-1,4-diazepan-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[(cyclooctylamino)-sulfanylidenemethyl]-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: 2-[4-(cyclooctylcarbamothioyl)-1,4-diazepan-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(cyclooctylthiocarbamoyl)-1,4-diazepan-1-yl]-N-phenyl-acetamide Formula: C22H34N4OS MolecularWeight: 402.59656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=S)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CCCC(CCC1)NC(=S)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H34N4OS/c27-21(23-19-10-7-4-8-11-19)18-25-14-9-15-26(17-16-25)22(28)24-20-12-5-2-1-3-6-13-20/h4,7-8,10-11,20H,1-3,5-6,9,12-18H2,(H,23,27)(H,24,28)