2-[(3-bromophenyl)carbamothioylamino]-4-chloranyl-benzoic acid

Systemtic Name: 2-[(3-bromophenyl)carbamothioylamino]-4-chloranyl-benzoic acid Openeye Name: 2-[(3-bromophenyl)carbamothioylamino]-4-chloro-benzoic acid CAS Name: 2-[[(3-bromoanilino)-sulfanylidenemethyl]amino]-4-chlorobenzoic acid IUPAC Name: 2-[(3-bromophenyl)carbamothioylamino]-4-chlorobenzoic acid Traditional Name: 2-[(3-bromophenyl)thiocarbamoylamino]-4-chloro-benzoic acid Formula: C14H10BrClN2O2S MolecularWeight: 385.6634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10BrClN2O2S/c15-8-2-1-3-10(6-8)17-14(21)18-12-7-9(16)4-5-11(12)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)