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

Systemtic Name: 3-(3-chlorophenyl)-2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-chlorophenyl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-chlorophenyl)-2-[[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-(3-chlorophenyl)-2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one Traditional Name: 3-(3-chlorophenyl)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]thio]quinazolin-4-one Formula: C26H22ClN3O2S MolecularWeight: 475.98978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)Cl

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)Cl

InChI

InChI=1S/C26H22ClN3O2S/c1-17(24(31)29-14-13-18-7-2-3-8-19(18)16-29)33-26-28-23-12-5-4-11-22(23)25(32)30(26)21-10-6-9-20(27)15-21/h2-12,15,17H,13-14,16H2,1H3