2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(4-ethylphenyl)ethanamide

Systemtic Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(4-ethylphenyl)ethanamide Openeye Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide CAS Name: 2-[[1-(1,3-benzodioxol-5-ylmethyl)-2-imidazolyl]thio]-N-(4-ethylphenyl)acetamide IUPAC Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide Traditional Name: N-(4-ethylphenyl)-2-[(1-piperonylimidazol-2-yl)thio]acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC=CN2CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC=CN2CC3=CC4=C(C=C3)OCO4

InChI

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