N-[2-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[2-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methylthio]ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[2-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methylthio]ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSCCNC(=O)C3=CC4=C(C=C3)OCCCO4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSCCNC(=O)C3=CC4=C(C=C3)OCCCO4)OC

InChI

InChI=1S/C23H25N3O6S/c1-29-18-11-15-16(12-19(18)30-2)25-21(26-23(15)28)13-33-9-6-24-22(27)14-4-5-17-20(10-14)32-8-3-7-31-17/h4-5,10-12H,3,6-9,13H2,1-2H3,(H,24,27)(H,25,26,28)