7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-quinazolin-4-one CAS Name: 7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-[(3,3-dimethyl-2-oxobutyl)thio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanylquinazolin-4-one Traditional Name: 3-benzyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazolin-4-one Formula: C31H31N3O3S MolecularWeight: 525.66114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3)C(=O)N1CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3)C(=O)N1CC5=CC=CC=C5

InChI

InChI=1S/C31H31N3O3S/c1-31(2,3)27(35)20-38-30-32-26-17-23(28(36)33-16-15-22-11-7-8-12-24(22)19-33)13-14-25(26)29(37)34(30)18-21-9-5-4-6-10-21/h4-14,17H,15-16,18-20H2,1-3H3