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

Systemtic Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-tert-butyl-ethanamide Openeye Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-tert-butyl-acetamide CAS Name: 2-[[1-(1,3-benzodioxol-5-ylmethyl)-2-imidazolyl]thio]-N-tert-butylacetamide IUPAC Name: 2-[1-(1,3-benzodioxol-5-ylmethyl)imidazol-2-yl]sulfanyl-N-tert-butylacetamide Traditional Name: N-tert-butyl-2-[(1-piperonylimidazol-2-yl)thio]acetamide Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC=CN1CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC=CN1CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H21N3O3S/c1-17(2,3)19-15(21)10-24-16-18-6-7-20(16)9-12-4-5-13-14(8-12)23-11-22-13/h4-8H,9-11H2,1-3H3,(H,19,21)