2-[(4-carbamimidoylphenyl)methyl]-1-methyl-N-(methylcarbamoyl)-N-phenyl-benzimidazole-5-carboxamide; methanesulfonic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)methyl]-1-methyl-N-(methylcarbamoyl)-N-phenyl-benzimidazole-5-carboxamide; methanesulfonic acid Openeye Name: 2-[(4-carbamimidoylphenyl)methyl]-1-methyl-N-(methylcarbamoyl)-N-phenyl-benzimidazole-5-carboxamide; methanesulfonic acid CAS Name: 2-[(4-carbamimidoylphenyl)methyl]-1-methyl-N-(methylcarbamoyl)-N-phenyl-5-benzimidazolecarboxamide; methanesulfonic acid IUPAC Name: 2-[(4-carbamimidoylphenyl)methyl]-1-methyl-N-(methylcarbamoyl)-N-phenylbenzimidazole-5-carboxamide; methanesulfonic acid Traditional Name: 2-(4-amidinobenzyl)-1-methyl-N-(methylcarbamoyl)-N-phenyl-benzimidazole-5-carboxamide; mesylic acid Formula: C26H28N6O5S MolecularWeight: 536.60272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)N(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CC4=CC=C(C=C4)C(=N)N)C.CS(=O)(=O)O

Isomeric SMILES

CNC(=O)N(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CC4=CC=C(C=C4)C(=N)N)C.CS(=O)(=O)O

InChI

InChI=1S/C25H24N6O2.CH4O3S/c1-28-25(33)31(19-6-4-3-5-7-19)24(32)18-12-13-21-20(15-18)29-22(30(21)2)14-16-8-10-17(11-9-16)23(26)27;1-5(2,3)4/h3-13,15H,14H2,1-2H3,(H3,26,27)(H,28,33);1H3,(H,2,3,4)