N-(5-chloranyl-2-methyl-phenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-ethanamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: N-(5-chloro-2-methylphenyl)-2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]acetamide IUPAC Name: N-(5-chloro-2-methylphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylacetamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]acetamide Formula: C23H22ClN3OS2 MolecularWeight: 456.02328

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=C(C=CC(=C3)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN3OS2/c1-15-6-10-18(11-7-15)25-23(29)26-19-4-3-5-20(13-19)30-14-22(28)27-21-12-17(24)9-8-16(21)2/h3-13H,14H2,1-2H3,(H,27,28)(H2,25,26,29)