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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=S)NC3CCCCCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=S)NC3CCCCCCC3

InChI

InChI=1S/C23H36N4OS/c1-19(28)24-22-12-10-20(11-13-22)18-26-14-7-15-27(17-16-26)23(29)25-21-8-5-3-2-4-6-9-21/h10-13,21H,2-9,14-18H2,1H3,(H,24,28)(H,25,29)