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

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-(phenylmethyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-benzyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(phenylmethyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-benzyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-benzyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C25H21N3O2S MolecularWeight: 427.51814

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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=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O2S/c29-23(27-13-12-18-8-4-5-9-20(18)16-27)19-10-11-21-22(14-19)26-25(31)28(24(21)30)15-17-6-2-1-3-7-17/h1-11,14H,12-13,15-16H2,(H,26,31)