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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(quinazolin-4-ylthio)acetamide Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O3S/c23-18(11-26-19-14-4-1-2-5-15(14)20-12-21-19)22-13-6-7-16-17(10-13)25-9-3-8-24-16/h1-2,4-7,10,12H,3,8-9,11H2,(H,22,23)