1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(quinazolin-4-ylthio)ethanone Formula: C19H16N2O3S MolecularWeight: 352.40694

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CSC3=NC=NC4=CC=CC=C43)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CSC3=NC=NC4=CC=CC=C43)OC1

InChI

InChI=1S/C19H16N2O3S/c22-16(13-6-7-17-18(10-13)24-9-3-8-23-17)11-25-19-14-4-1-2-5-15(14)20-12-21-19/h1-2,4-7,10,12H,3,8-9,11H2