2-[4-(cyclooctylcarbamothioyl)-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)ethanamide

Systemtic Name: 2-[4-(cyclooctylcarbamothioyl)-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)ethanamide Openeye Name: 2-[4-(cyclooctylcarbamothioyl)-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide CAS Name: 2-[4-[(cyclooctylamino)-sulfanylidenemethyl]-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide IUPAC Name: 2-[4-(cyclooctylcarbamothioyl)-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide Traditional Name: 2-[4-(cyclooctylthiocarbamoyl)-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide Formula: C26H42N4OS MolecularWeight: 458.70288

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=S)NC3CCCCCCC3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=S)NC3CCCCCCC3

InChI

InChI=1S/C26H42N4OS/c1-3-21-12-10-13-22(4-2)25(21)28-24(31)20-29-16-11-17-30(19-18-29)26(32)27-23-14-8-6-5-7-9-15-23/h10,12-13,23H,3-9,11,14-20H2,1-2H3,(H,27,32)(H,28,31)