N-(2-ethyl-6-methyl-phenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylacetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]acetamide Formula: C25H27N3OS2 MolecularWeight: 449.63138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C)C

InChI

InChI=1S/C25H27N3OS2/c1-4-19-8-5-7-18(3)24(19)28-23(29)16-31-22-10-6-9-21(15-22)27-25(30)26-20-13-11-17(2)12-14-20/h5-15H,4,16H2,1-3H3,(H,28,29)(H2,26,27,30)