(2R)-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide

Systemtic Name: (2R)-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide Openeye Name: (2R)-2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide CAS Name: (2R)-2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(methylcarbamoyl)propanamide IUPAC Name: (2R)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide Traditional Name: (2R)-2-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(methylcarbamoyl)propionamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S/c1-12-9-13(2)11-15(10-12)25-19(27)16-7-5-6-8-17(16)23-21(25)29-14(3)18(26)24-20(28)22-4/h5-11,14H,1-4H3,(H2,22,24,26,28)/t14-/m1/s1