N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]-3-methyl-benzimidazole-5-carboxamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]-3-methyl-benzimidazole-5-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]-3-methyl-benzimidazole-5-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[(4-fluorophenyl)methylthio]-3-methyl-5-benzimidazolecarboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]-3-methylbenzimidazole-5-carboxamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-fluorobenzyl)thio]-3-methyl-benzimidazole-5-carboxamide Formula: C24H26FN3OS MolecularWeight: 423.546143

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(=O)NCCC3=CCCCC3)N=C1SCC4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)NCCC3=CCCCC3)N=C1SCC4=CC=C(C=C4)F

InChI

InChI=1S/C24H26FN3OS/c1-28-22-15-19(23(29)26-14-13-17-5-3-2-4-6-17)9-12-21(22)27-24(28)30-16-18-7-10-20(25)11-8-18/h5,7-12,15H,2-4,6,13-14,16H2,1H3,(H,26,29)