3-(1,3-benzodioxol-5-ylmethyl)-7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-piperonyl-2-thioxo-1H-quinazolin-4-one Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H21N3O4S/c30-24(28-10-9-17-3-1-2-4-19(17)14-28)18-6-7-20-21(12-18)27-26(34)29(25(20)31)13-16-5-8-22-23(11-16)33-15-32-22/h1-8,11-12H,9-10,13-15H2,(H,27,34)