5-bromanyl-2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 5-bromo-2-[(3-chlorobenzothiophene-2-carbonyl)carbamothioylamino]benzoic acid CAS Name: 5-bromo-2-[[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid Traditional Name: 5-bromo-2-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoylamino]benzoic acid Formula: C17H10BrClN2O3S2 MolecularWeight: 469.7599

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=C(C=C(C=C3)Br)C(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=C(C=C(C=C3)Br)C(=O)O)Cl

InChI

InChI=1S/C17H10BrClN2O3S2/c18-8-5-6-11(10(7-8)16(23)24)20-17(25)21-15(22)14-13(19)9-3-1-2-4-12(9)26-14/h1-7H,(H,23,24)(H2,20,21,22,25)