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

Systemtic Name: 2-[4-(cyclooctylcarbamothioyl)-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(cyclooctylcarbamothioyl)-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[(cyclooctylamino)-sulfanylidenemethyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(cyclooctylcarbamothioyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(cyclooctylthiocarbamoyl)-1,4-diazepan-1-yl]acetamide Formula: C23H36N4OS MolecularWeight: 416.62314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=S)N2CCCN(CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CCCC(CCC1)NC(=S)N2CCCN(CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H36N4OS/c28-22(24-18-20-10-5-4-6-11-20)19-26-14-9-15-27(17-16-26)23(29)25-21-12-7-2-1-3-8-13-21/h4-6,10-11,21H,1-3,7-9,12-19H2,(H,24,28)(H,25,29)