N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-quinolin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-quinolylsulfanyl)acetamide CAS Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-quinolinylthio)acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-quinolylthio)acetamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N(CCC#N)C(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N(CCC#N)C(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H19N3O3S/c23-10-3-11-25(17-7-8-19-20(14-17)28-13-12-27-19)22(26)15-29-21-9-6-16-4-1-2-5-18(16)24-21/h1-2,4-9,14H,3,11-13,15H2