N-[3-[2-(2-methylphenyl)ethanoylcarbamothioylamino]phenyl]hexanamide

Systemtic Name: N-[3-[2-(2-methylphenyl)ethanoylcarbamothioylamino]phenyl]hexanamide Openeye Name: N-[3-[[2-(o-tolyl)acetyl]carbamothioylamino]phenyl]hexanamide CAS Name: N-[3-[[[[2-(2-methylphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]hexanamide IUPAC Name: N-[3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]hexanamide Traditional Name: N-[3-[[2-(o-tolyl)acetyl]thiocarbamoylamino]phenyl]hexanamide Formula: C22H27N3O2S MolecularWeight: 397.53368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CC2=CC=CC=C2C

Isomeric SMILES

CCCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CC2=CC=CC=C2C

InChI

InChI=1S/C22H27N3O2S/c1-3-4-5-13-20(26)23-18-11-8-12-19(15-18)24-22(28)25-21(27)14-17-10-7-6-9-16(17)2/h6-12,15H,3-5,13-14H2,1-2H3,(H,23,26)(H2,24,25,27,28)