N-(3-ethoxypropyl)-3-methyl-2-[(4-methylphenyl)methylsulfanyl]benzimidazole-5-carboxamide

Systemtic Name: N-(3-ethoxypropyl)-3-methyl-2-[(4-methylphenyl)methylsulfanyl]benzimidazole-5-carboxamide Openeye Name: N-(3-ethoxypropyl)-3-methyl-2-(p-tolylmethylsulfanyl)benzimidazole-5-carboxamide CAS Name: N-(3-ethoxypropyl)-3-methyl-2-[(4-methylphenyl)methylthio]-5-benzimidazolecarboxamide IUPAC Name: N-(3-ethoxypropyl)-3-methyl-2-[(4-methylphenyl)methylsulfanyl]benzimidazole-5-carboxamide Traditional Name: N-(3-ethoxypropyl)-3-methyl-2-[(4-methylbenzyl)thio]benzimidazole-5-carboxamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=CC2=C(C=C1)N=C(N2C)SCC3=CC=C(C=C3)C

Isomeric SMILES

CCOCCCNC(=O)C1=CC2=C(C=C1)N=C(N2C)SCC3=CC=C(C=C3)C

InChI

InChI=1S/C22H27N3O2S/c1-4-27-13-5-12-23-21(26)18-10-11-19-20(14-18)25(3)22(24-19)28-15-17-8-6-16(2)7-9-17/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,26)