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

Systemtic Name: N-(2-chlorophenyl)-2-[4-(cyclooctylcarbamothioyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(cyclooctylcarbamothioyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[(cyclooctylamino)-sulfanylidenemethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(cyclooctylcarbamothioyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-(cyclooctylthiocarbamoyl)-1,4-diazepan-1-yl]acetamide Formula: C22H33ClN4OS MolecularWeight: 437.04162

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=S)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

C1CCCC(CCC1)NC(=S)N2CCCN(CC2)CC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C22H33ClN4OS/c23-19-11-6-7-12-20(19)25-21(28)17-26-13-8-14-27(16-15-26)22(29)24-18-9-4-2-1-3-5-10-18/h6-7,11-12,18H,1-5,8-10,13-17H2,(H,24,29)(H,25,28)