N-(3-methoxypropyl)-6-[3-(4-methylphenyl)-2-(phenylmethyl)-7-sulfanyl-benzimidazol-5-yl]oxy-hexanamide

Systemtic Name: N-(3-methoxypropyl)-6-[3-(4-methylphenyl)-2-(phenylmethyl)-7-sulfanyl-benzimidazol-5-yl]oxy-hexanamide Openeye Name: 6-[2-benzyl-3-(p-tolyl)-7-sulfanyl-benzimidazol-5-yl]oxy-N-(3-methoxypropyl)hexanamide CAS Name: 6-[[7-mercapto-3-(4-methylphenyl)-2-(phenylmethyl)-5-benzimidazolyl]oxy]-N-(3-methoxypropyl)hexanamide IUPAC Name: 6-[2-benzyl-3-(4-methylphenyl)-7-sulfanylbenzimidazol-5-yl]oxy-N-(3-methoxypropyl)hexanamide Traditional Name: 6-[2-benzyl-7-mercapto-3-(p-tolyl)benzimidazol-5-yl]oxy-N-(3-methoxypropyl)hexanamide Formula: C31H37N3O3S MolecularWeight: 531.70878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=CC(=CC(=C3N=C2CC4=CC=CC=C4)S)OCCCCCC(=O)NCCCOC

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=CC(=CC(=C3N=C2CC4=CC=CC=C4)S)OCCCCCC(=O)NCCCOC

InChI

InChI=1S/C31H37N3O3S/c1-23-13-15-25(16-14-23)34-27-21-26(37-19-8-4-7-12-30(35)32-17-9-18-36-2)22-28(38)31(27)33-29(34)20-24-10-5-3-6-11-24/h3,5-6,10-11,13-16,21-22,38H,4,7-9,12,17-20H2,1-2H3,(H,32,35)