2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one

Systemtic Name: 2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one Openeye Name: 2-[(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one CAS Name: 2-[[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]thio]-3-(2-methoxy-5-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]sulfanyl-3-(2-methoxy-5-methylphenyl)quinazolin-4-one Traditional Name: 2-[[(1R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]thio]-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one Formula: C28H27N3O3S MolecularWeight: 485.59728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O3S/c1-18-12-13-25(34-3)24(16-18)31-27(33)22-10-6-7-11-23(22)29-28(31)35-19(2)26(32)30-15-14-20-8-4-5-9-21(20)17-30/h4-13,16,19H,14-15,17H2,1-3H3/t19-/m1/s1