N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(4-methylphenoxy)butanamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(4-methylphenoxy)butanamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(4-methylphenoxy)butanamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-(4-methylphenoxy)butanamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-(4-methylphenoxy)butanamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-(4-methylphenoxy)butyramide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C22H27N3O2S/c1-16-9-11-17(12-10-16)27-14-5-8-21(26)23-20(13-15-28-2)22-24-18-6-3-4-7-19(18)25-22/h3-4,6-7,9-12,20H,5,8,13-15H2,1-2H3,(H,23,26)(H,24,25)