4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylcarbamothioylamino]-2-chloranyl-benzoic acid

Systemtic Name: 4-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylcarbamothioylamino]-2-chloranyl-benzoic acid Openeye Name: 2-chloro-4-[(3,6-dichlorobenzothiophene-2-carbonyl)carbamothioylamino]benzoic acid CAS Name: 2-chloro-4-[[[[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-chloro-4-[(3,6-dichloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid Traditional Name: 2-chloro-4-[(3,6-dichlorobenzothiophene-2-carbonyl)thiocarbamoylamino]benzoic acid Formula: C17H9Cl3N2O3S2 MolecularWeight: 459.75396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)Cl)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)Cl)C(=O)O

InChI

InChI=1S/C17H9Cl3N2O3S2/c18-7-1-3-10-12(5-7)27-14(13(10)20)15(23)22-17(26)21-8-2-4-9(16(24)25)11(19)6-8/h1-6H,(H,24,25)(H2,21,22,23,26)