(2S)-N-(tert-butylcarbamoyl)-2-[3-(2,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(tert-butylcarbamoyl)-2-[3-(2,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(tert-butylcarbamoyl)-2-[3-(2,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2S)-N-[(tert-butylamino)-oxomethyl]-2-[[3-(2,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-(tert-butylcarbamoyl)-2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-(tert-butylcarbamoyl)-2-[[3-(2,4-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C24H28N4O3S MolecularWeight: 452.56912

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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)NC(=O)NC(C)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O3S/c1-14-11-12-19(15(2)13-14)28-21(30)17-9-7-8-10-18(17)25-23(28)32-16(3)20(29)26-22(31)27-24(4,5)6/h7-13,16H,1-6H3,(H2,26,27,29,31)/t16-/m0/s1