(2R)-N-aminocarbonyl-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-methyl-butanamide

Systemtic Name: (2R)-N-aminocarbonyl-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-methyl-butanamide Openeye Name: (2R)-N-carbamoyl-2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-methyl-butanamide CAS Name: (2R)-N-carbamoyl-2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-3-methylbutanamide IUPAC Name: (2R)-N-carbamoyl-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-3-methylbutanamide Traditional Name: (2R)-N-carbamoyl-2-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-3-methyl-butyramide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C(C)C)C(=O)NC(=O)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@H](C(C)C)C(=O)NC(=O)N)C

InChI

InChI=1S/C22H24N4O3S/c1-12(2)18(19(27)25-21(23)29)30-22-24-17-8-6-5-7-16(17)20(28)26(22)15-10-13(3)9-14(4)11-15/h5-12,18H,1-4H3,(H3,23,25,27,29)/t18-/m1/s1