N-[4-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]phenyl]-3-methyl-butanamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H22ClN3O2S/c1-13(2)11-18(25)22-16-7-9-17(10-8-16)23-20(27)24-19(26)12-14-3-5-15(21)6-4-14/h3-10,13H,11-12H2,1-2H3,(H,22,25)(H2,23,24,26,27)