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

Systemtic Name: 4-chloranyl-3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-chloro-3-[(3-chlorobenzothiophene-2-carbonyl)carbamothioylamino]benzoic acid CAS Name: 4-chloro-3-[[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid Traditional Name: 4-chloro-3-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoylamino]benzoic acid Formula: C17H10Cl2N2O3S2 MolecularWeight: 425.3089

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10Cl2N2O3S2/c18-10-6-5-8(16(23)24)7-11(10)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)