N-(4-ethoxyphenyl)-2-(hexanoylcarbamothioylamino)benzamide

Systemtic Name: N-(4-ethoxyphenyl)-2-(hexanoylcarbamothioylamino)benzamide Openeye Name: N-(4-ethoxyphenyl)-2-(hexanoylcarbamothioylamino)benzamide CAS Name: N-(4-ethoxyphenyl)-2-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-2-(hexanoylcarbamothioylamino)benzamide Traditional Name: 2-(caproylthiocarbamoylamino)-N-p-phenetyl-benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OCC

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OCC

InChI

InChI=1S/C22H27N3O3S/c1-3-5-6-11-20(26)25-22(29)24-19-10-8-7-9-18(19)21(27)23-16-12-14-17(15-13-16)28-4-2/h7-10,12-15H,3-6,11H2,1-2H3,(H,23,27)(H2,24,25,26,29)