N-(1,3-benzodioxol-5-yl)-2-(2-quinolin-2-ylsulfanylethanoylamino)benzamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(2-quinolin-2-ylsulfanylethanoylamino)benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(2-quinolylsulfanyl)acetyl]amino]benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[1-oxo-2-(2-quinolinylthio)ethyl]amino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(2-quinolin-2-ylsulfanylacetyl)amino]benzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(2-quinolylthio)acetyl]amino]benzamide Formula: C25H19N3O4S MolecularWeight: 457.50106

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=CC=C3NC(=O)CSC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=CC=C3NC(=O)CSC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H19N3O4S/c29-23(14-33-24-12-9-16-5-1-3-7-19(16)28-24)27-20-8-4-2-6-18(20)25(30)26-17-10-11-21-22(13-17)32-15-31-21/h1-13H,14-15H2,(H,26,30)(H,27,29)