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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O2S/c1-13-12-15(22)8-9-19(13)27-14(2)21(26)25-18(10-11-28-3)20-23-16-6-4-5-7-17(16)24-20/h4-9,12,14,18H,10-11H2,1-3H3,(H,23,24)(H,25,26)/t14?,18-/m0/s1