2-[(E)-N'-(1H-benzimidazol-2-yl)carbamimidoyl]sulfanylbenzoic acid

Systemtic Name: 2-[(E)-N'-(1H-benzimidazol-2-yl)carbamimidoyl]sulfanylbenzoic acid Openeye Name: 2-[(E)-N'-(1H-benzimidazol-2-yl)carbamimidoyl]sulfanylbenzoic acid CAS Name: 2-[[(E)-amino(1H-benzimidazol-2-ylimino)methyl]thio]benzoic acid IUPAC Name: 2-[(E)-N'-(1H-benzimidazol-2-yl)carbamimidoyl]sulfanylbenzoic acid Traditional Name: 2-[[(E)-N'-(1H-benzimidazol-2-yl)amidino]thio]benzoic acid Formula: C15H12N4O2S MolecularWeight: 312.34638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SC(=NC2=NC3=CC=CC=C3N2)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)S/C(=N/C2=NC3=CC=CC=C3N2)/N

InChI

InChI=1S/C15H12N4O2S/c16-14(22-12-8-4-1-5-9(12)13(20)21)19-15-17-10-6-2-3-7-11(10)18-15/h1-8H,(H,20,21)(H3,16,17,18,19)