(4-tert-butylphenyl) 3,3-bis[(3-chlorophenyl)sulfanyl]-N-(4-methylphenyl)propanimidothioate

Systemtic Name: (4-tert-butylphenyl) 3,3-bis[(3-chlorophenyl)sulfanyl]-N-(4-methylphenyl)propanimidothioate Openeye Name: (4-tert-butylphenyl) 3,3-bis[(3-chlorophenyl)sulfanyl]-N-(p-tolyl)propanimidothioate CAS Name: 3,3-bis[(3-chlorophenyl)thio]-N-(4-methylphenyl)propanimidothioic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 3,3-bis[(3-chlorophenyl)sulfanyl]-N-(4-methylphenyl)propanimidothioate Traditional Name: 3,3-bis[(3-chlorophenyl)thio]-N-(p-tolyl)thiopropionimidic acid (4-tert-butylphenyl) ester Formula: C32H31Cl2NS3 MolecularWeight: 596.69624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C(CC(SC2=CC(=CC=C2)Cl)SC3=CC(=CC=C3)Cl)SC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N=C(CC(SC2=CC(=CC=C2)Cl)SC3=CC(=CC=C3)Cl)SC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C32H31Cl2NS3/c1-22-11-15-26(16-12-22)35-30(36-27-17-13-23(14-18-27)32(2,3)4)21-31(37-28-9-5-7-24(33)19-28)38-29-10-6-8-25(34)20-29/h5-20,31H,21H2,1-4H3