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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H18N2O3S/c1-13(26-19-9-7-15-4-2-3-5-16(15)22-19)20(23)21-11-14-6-8-17-18(10-14)25-12-24-17/h2-10,13H,11-12H2,1H3,(H,21,23)