1-[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]-5-thiophen-2-yl-pyrazole-3-carboxylic acid

Systemtic Name: 1-[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]-5-thiophen-2-yl-pyrazole-3-carboxylic acid Openeye Name: 1-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl]-5-(2-thienyl)pyrazole-3-carboxylic acid CAS Name: 1-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]-5-thiophen-2-yl-3-pyrazolecarboxylic acid IUPAC Name: 1-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]-5-thiophen-2-ylpyrazole-3-carboxylic acid Traditional Name: 1-[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl]-5-(2-thienyl)pyrazole-3-carboxylic acid Formula: C24H21N7O2S MolecularWeight: 471.53424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N3C(=CC(=N3)C(=O)O)C4=CC=CS4)N=C1CNC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N3C(=CC(=N3)C(=O)O)C4=CC=CS4)N=C1CNC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C24H21N7O2S/c1-30-19-9-8-16(31-20(21-3-2-10-34-21)12-18(29-31)24(32)33)11-17(19)28-22(30)13-27-15-6-4-14(5-7-15)23(25)26/h2-12,27H,13H2,1H3,(H3,25,26)(H,32,33)