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

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-phenethyl-quinazolin-4-one Openeye Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-phenethyl-quinazolin-4-one CAS Name: 7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-[(3,3-dimethyl-2-oxobutyl)thio]-3-phenethyl-4-quinazolinone IUPAC Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-phenethylquinazolin-4-one Traditional Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(2-keto-3,3-dimethyl-butyl)thio]-3-phenethyl-quinazolin-4-one Formula: C32H33N3O3S MolecularWeight: 539.68772

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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)N1CCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3)C(=O)N1CCC5=CC=CC=C5

InChI

InChI=1S/C32H33N3O3S/c1-32(2,3)28(36)21-39-31-33-27-19-24(29(37)34-17-16-23-11-7-8-12-25(23)20-34)13-14-26(27)30(38)35(31)18-15-22-9-5-4-6-10-22/h4-14,19H,15-18,20-21H2,1-3H3