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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(4-chloranyl-2-methyl-phenoxy)ethanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(4-chloro-2-methyl-phenoxy)acetamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(4-chloro-2-methylphenoxy)acetamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(4-chloro-2-methylphenoxy)acetamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(4-chloro-2-methyl-phenoxy)acetamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O2S/c1-13-11-14(21)7-8-18(13)26-12-19(25)22-17(9-10-27-2)20-23-15-5-3-4-6-16(15)24-20/h3-8,11,17H,9-10,12H2,1-2H3,(H,22,25)(H,23,24)/t17-/m0/s1