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

Systemtic Name: 3,5-bis(bromanyl)-2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dibromo-2-[(3-chlorobenzothiophene-2-carbonyl)carbamothioylamino]benzoic acid CAS Name: 3,5-dibromo-2-[[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid Traditional Name: 3,5-dibromo-2-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoylamino]benzoic acid Formula: C17H9Br2ClN2O3S2 MolecularWeight: 548.65596

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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=C3C(=O)O)Br)Br)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=C(C=C(C=C3C(=O)O)Br)Br)Cl

InChI

InChI=1S/C17H9Br2ClN2O3S2/c18-7-5-9(16(24)25)13(10(19)6-7)21-17(26)22-15(23)14-12(20)8-3-1-2-4-11(8)27-14/h1-6H,(H,24,25)(H2,21,22,23,26)