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

Systemtic Name: ethyl 1-[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: ethyl 1-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl]-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 1-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]-5-thiophen-2-yl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 1-[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl]-5-(2-thienyl)pyrazole-3-carboxylic acid ethyl ester Formula: C26H25N7O2S MolecularWeight: 499.5874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=CC=CS2)C3=CC4=C(C=C3)N(C(=N4)CNC5=CC=C(C=C5)C(=N)N)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=CC=CS2)C3=CC4=C(C=C3)N(C(=N4)CNC5=CC=C(C=C5)C(=N)N)C

InChI

InChI=1S/C26H25N7O2S/c1-3-35-26(34)20-14-22(23-5-4-12-36-23)33(31-20)18-10-11-21-19(13-18)30-24(32(21)2)15-29-17-8-6-16(7-9-17)25(27)28/h4-14,29H,3,15H2,1-2H3,(H3,27,28)