4-[[(4-bromophenyl)methyl-[(5-chloranyl-2-methoxy-phenyl)carbamothioyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[(4-bromophenyl)methyl-[(5-chloranyl-2-methoxy-phenyl)carbamothioyl]amino]methyl]benzoic acid Openeye Name: 4-[[(4-bromophenyl)methyl-[(5-chloro-2-methoxy-phenyl)carbamothioyl]amino]methyl]benzoic acid CAS Name: 4-[[(4-bromophenyl)methyl-[(5-chloro-2-methoxyanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(4-bromophenyl)methyl-[(5-chloro-2-methoxyphenyl)carbamothioyl]amino]methyl]benzoic acid Traditional Name: 4-[[(4-bromobenzyl)-[(5-chloro-2-methoxy-phenyl)thiocarbamoyl]amino]methyl]benzoic acid Formula: C23H20BrClN2O3S MolecularWeight: 519.8385

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C23H20BrClN2O3S/c1-30-21-11-10-19(25)12-20(21)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)