ethyl 2-[4-[N,N'-bis[(3,4-dichlorophenyl)methyl]carbamimidoyl]phenyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[4-[N,N'-bis[(3,4-dichlorophenyl)methyl]carbamimidoyl]phenyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole-5-carboxylate Openeye Name: ethyl 2-[4-[N,N'-bis[(3,4-dichlorophenyl)methyl]carbamimidoyl]phenyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole-5-carboxylate CAS Name: 1-[(2,4-dichlorophenyl)methyl]-2-[4-[[(3,4-dichlorophenyl)methylamino]-[(3,4-dichlorophenyl)methylimino]methyl]phenyl]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-[N,N'-bis[(3,4-dichlorophenyl)methyl]carbamimidoyl]phenyl]-1-[(2,4-dichlorophenyl)methyl]benzimidazole-5-carboxylate Traditional Name: 2-[4-[N,N'-bis(3,4-dichlorobenzyl)amidino]phenyl]-1-(2,4-dichlorobenzyl)benzimidazole-5-carboxylic acid ethyl ester Formula: C38H28Cl6N4O2 MolecularWeight: 785.37252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=NCC4=CC(=C(C=C4)Cl)Cl)NCC5=CC(=C(C=C5)Cl)Cl)CC6=C(C=C(C=C6)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=NCC4=CC(=C(C=C4)Cl)Cl)NCC5=CC(=C(C=C5)Cl)Cl)CC6=C(C=C(C=C6)Cl)Cl

InChI

InChI=1S/C38H28Cl6N4O2/c1-2-50-38(49)26-10-14-35-34(17-26)47-37(48(35)21-27-9-11-28(39)18-31(27)42)25-7-5-24(6-8-25)36(45-19-22-3-12-29(40)32(43)15-22)46-20-23-4-13-30(41)33(44)16-23/h3-18H,2,19-21H2,1H3,(H,45,46)