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

Systemtic Name: 6-bromanyl-3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxidanylidene-hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-bromo-3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxo-hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6-bromo-3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-bromo-3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-bromo-3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-keto-hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C23H24BrN3O2S MolecularWeight: 486.42456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCCCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCCCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

InChI

InChI=1S/C23H24BrN3O2S/c24-18-9-10-20-19(14-18)22(29)27(23(30)25-20)12-5-1-2-8-21(28)26-13-11-16-6-3-4-7-17(16)15-26/h3-4,6-7,9-10,14H,1-2,5,8,11-13,15H2,(H,25,30)