4-[[(4-bromophenyl)methyl-[(2-fluorophenyl)carbamothioyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[(4-bromophenyl)methyl-[(2-fluorophenyl)carbamothioyl]amino]methyl]benzoic acid Openeye Name: 4-[[(4-bromophenyl)methyl-[(2-fluorophenyl)carbamothioyl]amino]methyl]benzoic acid CAS Name: 4-[[(4-bromophenyl)methyl-[(2-fluoroanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(4-bromophenyl)methyl-[(2-fluorophenyl)carbamothioyl]amino]methyl]benzoic acid Traditional Name: 4-[[(4-bromobenzyl)-[(2-fluorophenyl)thiocarbamoyl]amino]methyl]benzoic acid Formula: C22H18BrFN2O2S MolecularWeight: 473.357923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrFN2O2S/c23-18-11-7-16(8-12-18)14-26(13-15-5-9-17(10-6-15)21(27)28)22(29)25-20-4-2-1-3-19(20)24/h1-12H,13-14H2,(H,25,29)(H,27,28)