2-[(2S)-1-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one

Systemtic Name: 2-[(2S)-1-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one Openeye Name: 2-[(1S)-2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(p-tolyl)quinazolin-4-one CAS Name: 2-[[(2S)-1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl]thio]-3-(4-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(2S)-1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl]sulfanyl-3-(4-methylphenyl)quinazolin-4-one Traditional Name: 2-[[(1S)-2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)-1-methyl-ethyl]thio]-3-(p-tolyl)quinazolin-4-one Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)N4C5=CC=CC=C5NC(=O)C4(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@@H](C)C(=O)N4C5=CC=CC=C5NC(=O)C4(C)C

InChI

InChI=1S/C28H26N4O3S/c1-17-13-15-19(16-14-17)31-25(34)20-9-5-6-10-21(20)30-27(31)36-18(2)24(33)32-23-12-8-7-11-22(23)29-26(35)28(32,3)4/h5-16,18H,1-4H3,(H,29,35)/t18-/m0/s1