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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@H](C)C(=O)N4CCC5=CC=CC=C5C4)C

InChI

InChI=1S/C28H27N3O2S/c1-18-12-13-23(16-19(18)2)31-27(33)24-10-6-7-11-25(24)29-28(31)34-20(3)26(32)30-15-14-21-8-4-5-9-22(21)17-30/h4-13,16,20H,14-15,17H2,1-3H3/t20-/m1/s1