2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(2,6-dimethylphenyl)quinazolin-4-one

Systemtic Name: 2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(2,6-dimethylphenyl)quinazolin-4-one Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(2,6-dimethylphenyl)quinazolin-4-one CAS Name: 2-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]thio]-3-(2,6-dimethylphenyl)-4-quinazolinone IUPAC Name: 2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]sulfanyl-3-(2,6-dimethylphenyl)quinazolin-4-one Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]thio]-3-(2,6-dimethylphenyl)quinazolin-4-one Formula: C28H27N3O2S MolecularWeight: 469.59788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O2S/c1-18-9-8-10-19(2)25(18)31-27(33)23-13-6-7-14-24(23)29-28(31)34-20(3)26(32)30-16-15-21-11-4-5-12-22(21)17-30/h4-14,20H,15-17H2,1-3H3