2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[(1S)-2-indolin-1-yl-1-methyl-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]thio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one Traditional Name: 3-benzyl-2-[[(1S)-2-indolin-1-yl-2-keto-1-methyl-ethyl]thio]quinazolin-4-one Formula: C26H23N3O2S MolecularWeight: 441.54472

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H23N3O2S/c1-18(24(30)28-16-15-20-11-5-8-14-23(20)28)32-26-27-22-13-7-6-12-21(22)25(31)29(26)17-19-9-3-2-4-10-19/h2-14,18H,15-17H2,1H3/t18-/m0/s1