N-(1,3-benzodioxol-5-ylmethyl)-4-pyridin-4-ylsulfanyl-isoquinolin-1-amine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-pyridin-4-ylsulfanyl-isoquinolin-1-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-pyridylsulfanyl)isoquinolin-1-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(pyridin-4-ylthio)-1-isoquinolinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-pyridin-4-ylsulfanylisoquinolin-1-amine Traditional Name: piperonyl-[4-(4-pyridylthio)-1-isoquinolyl]amine Formula: C22H17N3O2S MolecularWeight: 387.45428

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=C(C4=CC=CC=C43)SC5=CC=NC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=C(C4=CC=CC=C43)SC5=CC=NC=C5

InChI

InChI=1S/C22H17N3O2S/c1-2-4-18-17(3-1)21(28-16-7-9-23-10-8-16)13-25-22(18)24-12-15-5-6-19-20(11-15)27-14-26-19/h1-11,13H,12,14H2,(H,24,25)