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

Systemtic Name: 2-[4-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[2-(cyclohexen-1-yl)ethylthiocarbamoyl]-1,4-diazepan-1-yl]acetamide Formula: C23H34N4OS MolecularWeight: 414.60726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=S)N2CCCN(CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CCC(=CC1)CCNC(=S)N2CCCN(CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H34N4OS/c28-22(25-18-21-10-5-2-6-11-21)19-26-14-7-15-27(17-16-26)23(29)24-13-12-20-8-3-1-4-9-20/h2,5-6,8,10-11H,1,3-4,7,9,12-19H2,(H,24,29)(H,25,28)