2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(pyridin-4-ylmethyl)quinazolin-4-one

Systemtic Name: 2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(pyridin-4-ylmethyl)quinazolin-4-one Openeye Name: 2-[(1R)-2-indolin-1-yl-1-methyl-2-oxo-ethyl]sulfanyl-3-(4-pyridylmethyl)quinazolin-4-one CAS Name: 2-[[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]thio]-3-(pyridin-4-ylmethyl)-4-quinazolinone IUPAC Name: 2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanyl-3-(pyridin-4-ylmethyl)quinazolin-4-one Traditional Name: 2-[[(1R)-2-indolin-1-yl-2-keto-1-methyl-ethyl]thio]-3-(4-pyridylmethyl)quinazolin-4-one Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)SC3=NC4=CC=CC=C4C(=O)N3CC5=CC=NC=C5

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C21)SC3=NC4=CC=CC=C4C(=O)N3CC5=CC=NC=C5

InChI

InChI=1S/C25H22N4O2S/c1-17(23(30)28-15-12-19-6-2-5-9-22(19)28)32-25-27-21-8-4-3-7-20(21)24(31)29(25)16-18-10-13-26-14-11-18/h2-11,13-14,17H,12,15-16H2,1H3/t17-/m1/s1