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

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-(2,5-dimethoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(2,5-dimethoxyphenyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(2,5-dimethoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(2,5-dimethoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(2,5-dimethoxyphenyl)-2-thioxo-1H-quinazolin-4-one Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4)NC2=S

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4)NC2=S

InChI

InChI=1S/C26H23N3O4S/c1-32-19-8-10-23(33-2)22(14-19)29-25(31)20-9-7-17(13-21(20)27-26(29)34)24(30)28-12-11-16-5-3-4-6-18(16)15-28/h3-10,13-14H,11-12,15H2,1-2H3,(H,27,34)