(3,4-dimethylphenyl) 3,3-bis[(3-chlorophenyl)sulfanyl]-N-phenyl-propanimidothioate

Systemtic Name: (3,4-dimethylphenyl) 3,3-bis[(3-chlorophenyl)sulfanyl]-N-phenyl-propanimidothioate Openeye Name: (3,4-dimethylphenyl) 3,3-bis[(3-chlorophenyl)sulfanyl]-N-phenyl-propanimidothioate CAS Name: 3,3-bis[(3-chlorophenyl)thio]-N-phenylpropanimidothioic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 3,3-bis[(3-chlorophenyl)sulfanyl]-N-phenylpropanimidothioate Traditional Name: 3,3-bis[(3-chlorophenyl)thio]-N-phenyl-thiopropionimidic acid (3,4-dimethylphenyl) ester Formula: C29H25Cl2NS3 MolecularWeight: 554.6165

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H25Cl2NS3/c1-20-14-15-27(16-21(20)2)33-28(32-24-10-4-3-5-11-24)19-29(34-25-12-6-8-22(30)17-25)35-26-13-7-9-23(31)18-26/h3-18,29H,19H2,1-2H3