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

Systemtic Name: 6-bromanyl-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-bromo-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6-bromo-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-bromo-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-bromo-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-butyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H20BrN3O2S MolecularWeight: 458.3714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

InChI

InChI=1S/C21H20BrN3O2S/c22-16-7-8-18-17(12-16)20(27)25(21(28)23-18)10-3-6-19(26)24-11-9-14-4-1-2-5-15(14)13-24/h1-2,4-5,7-8,12H,3,6,9-11,13H2,(H,23,28)