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

Systemtic Name: 3-methyl-2-[(4-methylphenyl)methylsulfanyl]-N-(3-propan-2-yloxypropyl)benzimidazole-5-carboxamide Openeye Name: N-(3-isopropoxypropyl)-3-methyl-2-(p-tolylmethylsulfanyl)benzimidazole-5-carboxamide CAS Name: 3-methyl-2-[(4-methylphenyl)methylthio]-N-(3-propan-2-yloxypropyl)-5-benzimidazolecarboxamide IUPAC Name: 3-methyl-2-[(4-methylphenyl)methylsulfanyl]-N-(3-propan-2-yloxypropyl)benzimidazole-5-carboxamide Traditional Name: N-(3-isopropoxypropyl)-3-methyl-2-[(4-methylbenzyl)thio]benzimidazole-5-carboxamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(N2C)C=C(C=C3)C(=O)NCCCOC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(N2C)C=C(C=C3)C(=O)NCCCOC(C)C

InChI

InChI=1S/C23H29N3O2S/c1-16(2)28-13-5-12-24-22(27)19-10-11-20-21(14-19)26(4)23(25-20)29-15-18-8-6-17(3)7-9-18/h6-11,14,16H,5,12-13,15H2,1-4H3,(H,24,27)