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

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(3,4-dimethylphenoxy)ethanamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(3,4-dimethylphenoxy)acetamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(3,4-dimethylphenoxy)acetamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(3,4-dimethylphenoxy)acetamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(3,4-dimethylphenoxy)acetamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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