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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(4-propanoylphenoxy)ethanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(4-propanoylphenoxy)acetamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-[4-(1-oxopropyl)phenoxy]acetamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(4-propanoylphenoxy)acetamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(4-propionylphenoxy)acetamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-3-20(26)15-8-10-16(11-9-15)28-14-21(27)23-19(12-13-29-2)22-24-17-6-4-5-7-18(17)25-22/h4-11,19H,3,12-14H2,1-2H3,(H,23,27)(H,24,25)/t19-/m0/s1