N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methylimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methylimidazol-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methylimidazol-2-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-methyl-2-imidazolyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide Traditional Name: 2-[(1-methylimidazol-2-yl)thio]-N-piperonyl-propionamide Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC=CN3C

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC=CN3C

InChI

InChI=1S/C15H17N3O3S/c1-10(22-15-16-5-6-18(15)2)14(19)17-8-11-3-4-12-13(7-11)21-9-20-12/h3-7,10H,8-9H2,1-2H3,(H,17,19)