N-(1,3-benzodioxol-5-ylmethyl)-2-isoquinolin-1-ylsulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-isoquinolin-1-ylsulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-isoquinolylsulfanyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-isoquinolinylthio)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-isoquinolin-1-ylsulfanylacetamide Traditional Name: 2-(1-isoquinolylthio)-N-piperonyl-acetamide Formula: C19H16N2O3S MolecularWeight: 352.40694

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=CC4=CC=CC=C43

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C19H16N2O3S/c22-18(21-10-13-5-6-16-17(9-13)24-12-23-16)11-25-19-15-4-2-1-3-14(15)7-8-20-19/h1-9H,10-12H2,(H,21,22)