N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(2,4,6-trimethylphenoxy)ethanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(2,4,6-trimethylphenoxy)ethanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(2,4,6-trimethylphenoxy)acetamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(2,4,6-trimethylphenoxy)acetamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(2,4,6-trimethylphenoxy)acetamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(2,4,6-trimethylphenoxy)acetamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OCC(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2)C

InChI

InChI=1S/C22H27N3O2S/c1-14-11-15(2)21(16(3)12-14)27-13-20(26)23-19(9-10-28-4)22-24-17-7-5-6-8-18(17)25-22/h5-8,11-12,19H,9-10,13H2,1-4H3,(H,23,26)(H,24,25)/t19-/m0/s1