2-[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one

Systemtic Name: 2-[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 2-[(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-isobutyl-quinazolin-4-one CAS Name: 2-[[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]thio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 2-[[(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]thio]-3-isobutyl-quinazolin-4-one Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC(C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2CC(C)C

InChI

InChI=1S/C23H27N3O3S/c1-12(2)11-26-22(29)17-9-7-8-10-18(17)25-23(26)30-16(6)21(28)20-13(3)19(15(5)27)14(4)24-20/h7-10,12,16,24H,11H2,1-6H3/t16-/m0/s1