(3-methylphenyl) 3,3-bis[(3-fluorophenyl)sulfanyl]-N-phenyl-propanimidothioate

Systemtic Name: (3-methylphenyl) 3,3-bis[(3-fluorophenyl)sulfanyl]-N-phenyl-propanimidothioate Openeye Name: m-tolyl 3,3-bis[(3-fluorophenyl)sulfanyl]-N-phenyl-propanimidothioate CAS Name: 3,3-bis[(3-fluorophenyl)thio]-N-phenylpropanimidothioic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 3,3-bis[(3-fluorophenyl)sulfanyl]-N-phenylpropanimidothioate Traditional Name: 3,3-bis[(3-fluorophenyl)thio]-N-phenyl-thiopropionimidic acid m-tolyl ester Formula: C28H23F2NS3 MolecularWeight: 507.680726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC(=NC2=CC=CC=C2)CC(SC3=CC=CC(=C3)F)SC4=CC=CC(=C4)F

Isomeric SMILES

CC1=CC(=CC=C1)SC(=NC2=CC=CC=C2)CC(SC3=CC=CC(=C3)F)SC4=CC=CC(=C4)F

InChI

InChI=1S/C28H23F2NS3/c1-20-8-5-13-24(16-20)32-27(31-23-11-3-2-4-12-23)19-28(33-25-14-6-9-21(29)17-25)34-26-15-7-10-22(30)18-26/h2-18,28H,19H2,1H3