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

Systemtic Name: 2-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-[(3,6-dichlorobenzothiophene-2-carbonyl)carbamothioylamino]benzoic acid CAS Name: 2-[[[[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-[(3,6-dichloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid Traditional Name: 2-[(3,6-dichlorobenzothiophene-2-carbonyl)thiocarbamoylamino]benzoic acid Formula: C17H10Cl2N2O3S2 MolecularWeight: 425.3089

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10Cl2N2O3S2/c18-8-5-6-10-12(7-8)26-14(13(10)19)15(22)21-17(25)20-11-4-2-1-3-9(11)16(23)24/h1-7H,(H,23,24)(H2,20,21,22,25)