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

Systemtic Name: 4-[[(4-bromophenyl)methyl-[(5-chloranyl-2-methyl-phenyl)carbamothioyl]amino]methyl]benzoic acid Openeye Name: 4-[[(4-bromophenyl)methyl-[(5-chloro-2-methyl-phenyl)carbamothioyl]amino]methyl]benzoic acid CAS Name: 4-[[(4-bromophenyl)methyl-[(5-chloro-2-methylanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(4-bromophenyl)methyl-[(5-chloro-2-methylphenyl)carbamothioyl]amino]methyl]benzoic acid Traditional Name: 4-[[(4-bromobenzyl)-[(5-chloro-2-methyl-phenyl)thiocarbamoyl]amino]methyl]benzoic acid Formula: C23H20BrClN2O2S MolecularWeight: 503.8391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C23H20BrClN2O2S/c1-15-2-11-20(25)12-21(15)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)