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

Systemtic Name: 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-keto-hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O2S/c27-21(25-15-13-17-8-3-4-9-18(17)16-25)12-2-1-7-14-26-22(28)19-10-5-6-11-20(19)24-23(26)29/h3-6,8-11H,1-2,7,12-16H2,(H,24,29)