N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(4-chloranylphenoxy)-2-methyl-propanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(4-chloranylphenoxy)-2-methyl-propanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(4-chlorophenoxy)-2-methyl-propanamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(4-chlorophenoxy)-2-methylpropanamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(4-chlorophenoxy)-2-methylpropanamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(4-chlorophenoxy)-2-methyl-propionamide Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(CCSC)C1=NC2=CC=CC=C2N1)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)N[C@@H](CCSC)C1=NC2=CC=CC=C2N1)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN3O2S/c1-21(2,27-15-10-8-14(22)9-11-15)20(26)25-18(12-13-28-3)19-23-16-6-4-5-7-17(16)24-19/h4-11,18H,12-13H2,1-3H3,(H,23,24)(H,25,26)/t18-/m0/s1