N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]-3-methyl-benzimidazole-5-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]-3-methyl-benzimidazole-5-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]-3-methyl-benzimidazole-5-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)methylthio]-3-methyl-5-benzimidazolecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]-3-methylbenzimidazole-5-carboxamide Traditional Name: 2-[(4-fluorobenzyl)thio]-N-homoveratryl-3-methyl-benzimidazole-5-carboxamide Formula: C26H26FN3O3S MolecularWeight: 479.566343

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)N=C1SCC4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)N=C1SCC4=CC=C(C=C4)F

InChI

InChI=1S/C26H26FN3O3S/c1-30-22-15-19(25(31)28-13-12-17-6-11-23(32-2)24(14-17)33-3)7-10-21(22)29-26(30)34-16-18-4-8-20(27)9-5-18/h4-11,14-15H,12-13,16H2,1-3H3,(H,28,31)