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

Systemtic Name: 4-[[(3-chloranyl-4-methoxy-phenyl)carbamothioyl-[(4-chlorophenyl)methyl]amino]methyl]benzoate Openeye Name: 4-[[(3-chloro-4-methoxy-phenyl)carbamothioyl-[(4-chlorophenyl)methyl]amino]methyl]benzoate CAS Name: 4-[[[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]-[(4-chlorophenyl)methyl]amino]methyl]benzoate IUPAC Name: 4-[[(3-chloro-4-methoxyphenyl)carbamothioyl-[(4-chlorophenyl)methyl]amino]methyl]benzoate Traditional Name: 4-[[(4-chlorobenzyl)-[(3-chloro-4-methoxy-phenyl)thiocarbamoyl]amino]methyl]benzoate Formula: C23H19Cl2N2O3S- MolecularWeight: 474.37956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C23H20Cl2N2O3S/c1-30-21-11-10-19(12-20(21)25)26-23(31)27(14-16-4-8-18(24)9-5-16)13-15-2-6-17(7-3-15)22(28)29/h2-12H,13-14H2,1H3,(H,26,31)(H,28,29)/p-1