3-(1-benzofuran-2-ylcarbonylcarbamothioylamino)-4-chloranyl-benzoic acid

Systemtic Name: 3-(1-benzofuran-2-ylcarbonylcarbamothioylamino)-4-chloranyl-benzoic acid Openeye Name: 3-(benzofuran-2-carbonylcarbamothioylamino)-4-chloro-benzoic acid CAS Name: 3-[[[[2-benzofuranyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-(1-benzofuran-2-carbonylcarbamothioylamino)-4-chlorobenzoic acid Traditional Name: 3-(benzofuran-2-carbonylthiocarbamoylamino)-4-chloro-benzoic acid Formula: C17H11ClN2O4S MolecularWeight: 374.79824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NC3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NC3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C17H11ClN2O4S/c18-11-6-5-10(16(22)23)7-12(11)19-17(25)20-15(21)14-8-9-3-1-2-4-13(9)24-14/h1-8H,(H,22,23)(H2,19,20,21,25)