4-[[(4-bromophenyl)carbamothioylamino]methyl]benzoic acid

Systemtic Name: 4-[[(4-bromophenyl)carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[(4-bromophenyl)carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[(4-bromoanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(4-bromophenyl)carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[(4-bromophenyl)thiocarbamoylamino]methyl]benzoic acid Formula: C15H13BrN2O2S MolecularWeight: 365.24492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NC2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C15H13BrN2O2S/c16-12-5-7-13(8-6-12)18-15(21)17-9-10-1-3-11(4-2-10)14(19)20/h1-8H,9H2,(H,19,20)(H2,17,18,21)