4-[[4-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]sulfanyl]phenyl]carbamoyl]benzoic acid

Systemtic Name: 4-[[4-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]sulfanyl]phenyl]carbamoyl]benzoic acid Openeye Name: 4-[[4-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]sulfanyl]phenyl]carbamoyl]benzoic acid CAS Name: 4-[[4-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]thio]anilino]-oxomethyl]benzoic acid IUPAC Name: 4-[[4-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]sulfanyl]phenyl]carbamoyl]benzoic acid Traditional Name: 4-[[4-[[2-(carbomethoxyamino)-3H-benzimidazol-5-yl]thio]phenyl]carbamoyl]benzoic acid Formula: C23H18N4O5S MolecularWeight: 462.47782

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H18N4O5S/c1-32-23(31)27-22-25-18-11-10-17(12-19(18)26-22)33-16-8-6-15(7-9-16)24-20(28)13-2-4-14(5-3-13)21(29)30/h2-12H,1H3,(H,24,28)(H,29,30)(H2,25,26,27,31)