[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)quinolin-4-yl]-morpholin-4-yl-methanone

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)quinolin-4-yl]-morpholin-4-yl-methanone Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-4-quinolyl]-morpholino-methanone CAS Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-4-quinolinyl]-(4-morpholinyl)methanone IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)quinolin-4-yl]-morpholin-4-ylmethanone Traditional Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-4-quinolyl]-morpholino-methanone Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SC3=NC4=CC=CC=C4C(=C3)C(=O)N5CCOCC5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SC3=NC4=CC=CC=C4C(=C3)C(=O)N5CCOCC5)OC1

InChI

InChI=1S/C23H22N2O4S/c26-23(25-8-12-27-13-9-25)18-15-22(24-19-5-2-1-4-17(18)19)30-16-6-7-20-21(14-16)29-11-3-10-28-20/h1-2,4-7,14-15H,3,8-13H2