4-[[(3-chloranyl-4-methyl-phenyl)carbamothioyl-[(4-chlorophenyl)methyl]amino]methyl]benzoate

Systemtic Name: 4-[[(3-chloranyl-4-methyl-phenyl)carbamothioyl-[(4-chlorophenyl)methyl]amino]methyl]benzoate Openeye Name: 4-[[(3-chloro-4-methyl-phenyl)carbamothioyl-[(4-chlorophenyl)methyl]amino]methyl]benzoate CAS Name: 4-[[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]-[(4-chlorophenyl)methyl]amino]methyl]benzoate IUPAC Name: 4-[[(3-chloro-4-methylphenyl)carbamothioyl-[(4-chlorophenyl)methyl]amino]methyl]benzoate Traditional Name: 4-[[(4-chlorobenzyl)-[(3-chloro-4-methyl-phenyl)thiocarbamoyl]amino]methyl]benzoate Formula: C23H19Cl2N2O2S- MolecularWeight: 458.38016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)[O-])CC3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)C(=O)[O-])CC3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C23H20Cl2N2O2S/c1-15-2-11-20(12-21(15)25)26-23(30)27(14-17-5-9-19(24)10-6-17)13-16-3-7-18(8-4-16)22(28)29/h2-12H,13-14H2,1H3,(H,26,30)(H,28,29)/p-1