N-(1,3-benzodioxol-5-ylmethyl)-3-quinolin-2-ylsulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-quinolin-2-ylsulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-quinolylsulfanyl)propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-quinolinylthio)propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-quinolin-2-ylsulfanylpropanamide Traditional Name: N-piperonyl-3-(2-quinolylthio)propionamide Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H18N2O3S/c23-19(21-12-14-5-7-17-18(11-14)25-13-24-17)9-10-26-20-8-6-15-3-1-2-4-16(15)22-20/h1-8,11H,9-10,12-13H2,(H,21,23)