N-(3-chlorophenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-ethanamide

Systemtic Name: N-(3-chlorophenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-ethanamide Openeye Name: N-(3-chlorophenyl)-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: N-(3-chlorophenyl)-2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]acetamide IUPAC Name: N-(3-chlorophenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylacetamide Traditional Name: N-(3-chlorophenyl)-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]acetamide Formula: C22H20ClN3OS2 MolecularWeight: 441.9967

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H20ClN3OS2/c1-15-8-10-17(11-9-15)25-22(28)26-19-6-3-7-20(13-19)29-14-21(27)24-18-5-2-4-16(23)12-18/h2-13H,14H2,1H3,(H,24,27)(H2,25,26,28)