2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(3,5-dimethylphenyl)ethanamide

Systemtic Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[[1-(1,3-benzodioxol-5-ylmethyl)-2-imidazolyl]thio]-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[(1-piperonylimidazol-2-yl)thio]acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSC2=NC=CN2CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSC2=NC=CN2CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H21N3O3S/c1-14-7-15(2)9-17(8-14)23-20(25)12-28-21-22-5-6-24(21)11-16-3-4-18-19(10-16)27-13-26-18/h3-10H,11-13H2,1-2H3,(H,23,25)