N-butyl-3-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]benzamide

Systemtic Name: N-butyl-3-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]benzamide Openeye Name: N-butyl-3-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]benzamide CAS Name: N-butyl-3-[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butyl-3-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]benzamide Traditional Name: N-butyl-3-[[2-(4-chlorophenyl)acetyl]thiocarbamoylamino]benzamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H22ClN3O2S/c1-2-3-11-22-19(26)15-5-4-6-17(13-15)23-20(27)24-18(25)12-14-7-9-16(21)10-8-14/h4-10,13H,2-3,11-12H2,1H3,(H,22,26)(H2,23,24,25,27)