2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethyl]-1H-quinazolin-4-one Openeye Name: 2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethyl]-1H-quinazolin-4-one CAS Name: 2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethyl]-1H-quinazolin-4-one Traditional Name: 2-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)ethyl]-1H-quinazolin-4-one Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C19H18N2O3S/c1-12(18-20-15-6-3-2-5-14(15)19(22)21-18)25-13-7-8-16-17(11-13)24-10-4-9-23-16/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,20,21,22)