3-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioylamino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[(5-bromo-2-chloro-benzoyl)carbamothioylamino]-4-chloro-benzoic acid CAS Name: 3-[[[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[(5-bromo-2-chlorobenzoyl)carbamothioylamino]-4-chlorobenzoic acid Traditional Name: 3-[(5-bromo-2-chloro-benzoyl)thiocarbamoylamino]-4-chloro-benzoic acid Formula: C15H9BrCl2N2O3S MolecularWeight: 448.11856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9BrCl2N2O3S/c16-8-2-4-10(17)9(6-8)13(21)20-15(24)19-12-5-7(14(22)23)1-3-11(12)18/h1-6H,(H,22,23)(H2,19,20,21,24)