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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

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