7-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-hexyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one

Systemtic Name: 7-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-hexyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one Openeye Name: 7-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-hexyl]-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one CAS Name: 7-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxohexyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one IUPAC Name: 7-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxohexyl]-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one Traditional Name: 7-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-keto-hexyl]-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCCCCN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCCCCN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5

InChI

InChI=1S/C24H25N3O4S/c28-22(26-11-9-16-6-3-4-7-17(16)14-26)8-2-1-5-10-27-23(29)18-12-20-21(31-15-30-20)13-19(18)25-24(27)32/h3-4,6-7,12-13H,1-2,5,8-11,14-15H2,(H,25,32)