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

Systemtic Name: 3-[[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)cyclohexyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexyl]methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]cyclohexyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexyl]methyl]-2-thioxo-1H-quinazolin-4-one Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3NC2=S)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3NC2=S)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H27N3O2S/c29-23(27-14-13-18-5-1-2-6-20(18)16-27)19-11-9-17(10-12-19)15-28-24(30)21-7-3-4-8-22(21)26-25(28)31/h1-8,17,19H,9-16H2,(H,26,31)