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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@H](C)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H27N3O2S/c1-3-20-12-14-23(15-13-20)31-27(33)24-10-6-7-11-25(24)29-28(31)34-19(2)26(32)30-17-16-21-8-4-5-9-22(21)18-30/h4-15,19H,3,16-18H2,1-2H3/t19-/m1/s1