(3R)-3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]butan-2-one

Systemtic Name: (3R)-3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]butan-2-one Openeye Name: (3R)-3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]butan-2-one CAS Name: (3R)-3-[2-[2-(3,5-dimethylphenoxy)ethylthio]-1-benzimidazolyl]-2-butanone IUPAC Name: (3R)-3-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]butan-2-one Traditional Name: (3R)-3-[2-[2-(3,5-dimethylphenoxy)ethylthio]benzimidazol-1-yl]butan-2-one Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCSC2=NC3=CC=CC=C3N2C(C)C(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCSC2=NC3=CC=CC=C3N2[C@H](C)C(=O)C)C

InChI

InChI=1S/C21H24N2O2S/c1-14-11-15(2)13-18(12-14)25-9-10-26-21-22-19-7-5-6-8-20(19)23(21)16(3)17(4)24/h5-8,11-13,16H,9-10H2,1-4H3/t16-/m1/s1