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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(2,3-dimethylphenoxy)ethanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(2,3-dimethylphenoxy)acetamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(2,3-dimethylphenoxy)acetamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(2,3-dimethylphenoxy)acetamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(2,3-dimethylphenoxy)acetamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-14-7-6-10-19(15(14)2)26-13-20(25)22-18(11-12-27-3)21-23-16-8-4-5-9-17(16)24-21/h4-10,18H,11-13H2,1-3H3,(H,22,25)(H,23,24)/t18-/m0/s1