2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one

Systemtic Name: 2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(p-tolyl)quinazolin-4-one CAS Name: 2-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]thio]-3-(4-methylphenyl)-4-quinazolinone IUPAC Name: 2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]thio]-3-(p-tolyl)quinazolin-4-one Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H25N3O2S/c1-18-11-13-22(14-12-18)30-26(32)23-9-5-6-10-24(23)28-27(30)33-19(2)25(31)29-16-15-20-7-3-4-8-21(20)17-29/h3-14,19H,15-17H2,1-2H3