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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(4-methoxyphenoxy)butanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(4-methoxyphenoxy)butanamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-(4-methoxyphenoxy)butanamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-(4-methoxyphenoxy)butanamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-(4-methoxyphenoxy)butyramide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCCC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

COC1=CC=C(C=C1)OCCCC(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C22H27N3O3S/c1-27-16-9-11-17(12-10-16)28-14-5-8-21(26)23-20(13-15-29-2)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)/t20-/m0/s1