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

Systemtic Name: 7-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-pentyl-quinazolin-4-one Openeye Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-pentyl-quinazolin-4-one CAS Name: 7-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-[(3,3-dimethyl-2-oxobutyl)thio]-3-pentyl-4-quinazolinone IUPAC Name: 7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-pentylquinazolin-4-one Traditional Name: 3-amyl-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazolin-4-one Formula: C29H35N3O3S MolecularWeight: 505.6715

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)N=C1SCC(=O)C(C)(C)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC4=CC=CC=C4C3)N=C1SCC(=O)C(C)(C)C

InChI

InChI=1S/C29H35N3O3S/c1-5-6-9-15-32-27(35)23-13-12-21(17-24(23)30-28(32)36-19-25(33)29(2,3)4)26(34)31-16-14-20-10-7-8-11-22(20)18-31/h7-8,10-13,17H,5-6,9,14-16,18-19H2,1-4H3