7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-[(2-methoxyphenyl)methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-o-anisyl-2-thioxo-1H-quinazolin-4-one Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4)NC2=S

Isomeric SMILES

COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4)NC2=S

InChI

InChI=1S/C26H23N3O3S/c1-32-23-9-5-4-8-20(23)16-29-25(31)21-11-10-18(14-22(21)27-26(29)33)24(30)28-13-12-17-6-2-3-7-19(17)15-28/h2-11,14H,12-13,15-16H2,1H3,(H,27,33)