3-[(4-bromophenyl)carbonylcarbamothioylamino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[(4-bromophenyl)carbonylcarbamothioylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[(4-bromobenzoyl)carbamothioylamino]-4-chloro-benzoic acid CAS Name: 3-[[[[(4-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[(4-bromobenzoyl)carbamothioylamino]-4-chlorobenzoic acid Traditional Name: 3-[(4-bromobenzoyl)thiocarbamoylamino]-4-chloro-benzoic acid Formula: C15H10BrClN2O3S MolecularWeight: 413.6735

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl)Br

InChI

InChI=1S/C15H10BrClN2O3S/c16-10-4-1-8(2-5-10)13(20)19-15(23)18-12-7-9(14(21)22)3-6-11(12)17/h1-7H,(H,21,22)(H2,18,19,20,23)