4-(2-ethyl-3-methoxy-phenyl)-1,3-bis[(3-methyl-4-propyl-phenyl)sulfanylmethyl]-2H-benzimidazol-2-amine bromide

Systemtic Name: 4-(2-ethyl-3-methoxy-phenyl)-1,3-bis[(3-methyl-4-propyl-phenyl)sulfanylmethyl]-2H-benzimidazol-2-amine bromide Openeye Name: 4-(2-ethyl-3-methoxy-phenyl)-1,3-bis[(3-methyl-4-propyl-phenyl)sulfanylmethyl]-2H-benzimidazol-2-amine bromide CAS Name: 4-(2-ethyl-3-methoxyphenyl)-1,3-bis[[(3-methyl-4-propylphenyl)thio]methyl]-2H-benzimidazol-2-amine bromide IUPAC Name: 4-(2-ethyl-3-methoxyphenyl)-1,3-bis[(3-methyl-4-propylphenyl)sulfanylmethyl]-2H-benzimidazol-2-amine bromide Traditional Name: [4-(2-ethyl-3-methoxy-phenyl)-1,3-bis[[(3-methyl-4-propyl-phenyl)thio]methyl]-2H-benzimidazol-2-yl]amine bromide Formula: C38H47BrN3OS2- MolecularWeight: 705.83328

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)SCN2C(N(C3=C(C=CC=C32)C4=C(C(=CC=C4)OC)CC)CSC5=CC(=C(C=C5)CCC)C)N)C.[Br-]

Isomeric SMILES

CCCC1=C(C=C(C=C1)SCN2C(N(C3=C(C=CC=C32)C4=C(C(=CC=C4)OC)CC)CSC5=CC(=C(C=C5)CCC)C)N)C.[Br-]

InChI

InChI=1S/C38H47N3OS2.BrH/c1-7-12-28-18-20-30(22-26(28)4)43-24-40-35-16-10-15-34(33-14-11-17-36(42-6)32(33)9-3)37(35)41(38(40)39)25-44-31-21-19-29(13-8-2)27(5)23-31;/h10-11,14-23,38H,7-9,12-13,24-25,39H2,1-6H3;1H/p-1