N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-quinolin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-quinolylsulfanyl)acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-quinolinylthio)acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-quinolylthio)acetamide Formula: C20H18N2O3S MolecularWeight: 366.43352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C=C3)OC1

InChI

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