N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-2-quinolin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-2-(2-quinolylsulfanyl)acetamide CAS Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(2-quinolinylthio)acetamide IUPAC Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-2-(2-quinolylthio)acetamide Formula: C19H14BrN3O3S MolecularWeight: 444.30176

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)CSC3=NC4=CC=CC=C4C=C3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/NC(=O)CSC3=NC4=CC=CC=C4C=C3)Br

InChI

InChI=1S/C19H14BrN3O3S/c20-14-8-17-16(25-11-26-17)7-13(14)9-21-23-18(24)10-27-19-6-5-12-3-1-2-4-15(12)22-19/h1-9H,10-11H2,(H,23,24)/b21-9+