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

Systemtic Name: 3-cyclohexyl-7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-quinazolin-4-one Openeye Name: 3-cyclohexyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-quinazolin-4-one CAS Name: 3-cyclohexyl-7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-quinazolinone IUPAC Name: 3-cyclohexyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanylquinazolin-4-one Traditional Name: 3-cyclohexyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazolin-4-one Formula: C30H35N3O3S MolecularWeight: 517.6822

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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)N1C5CCCCC5

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCC4=CC=CC=C4C3)C(=O)N1C5CCCCC5

InChI

InChI=1S/C30H35N3O3S/c1-30(2,3)26(34)19-37-29-31-25-17-21(27(35)32-16-15-20-9-7-8-10-22(20)18-32)13-14-24(25)28(36)33(29)23-11-5-4-6-12-23/h7-10,13-14,17,23H,4-6,11-12,15-16,18-19H2,1-3H3