(2S)-2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-ethyl-propanamide

Systemtic Name: (2S)-2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-ethyl-propanamide Openeye Name: (2S)-2-[3-(2,6-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-ethyl-propanamide CAS Name: (2S)-2-[[3-(2,6-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-ethylpropanamide IUPAC Name: (2S)-2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylpropanamide Traditional Name: (2S)-2-[[3-(2,6-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-ethyl-propionamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC=C3C)C

Isomeric SMILES

CCNC(=O)[C@H](C)SC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC=C3C)C

InChI

InChI=1S/C21H23N3O2S/c1-5-22-19(25)15(4)27-21-23-17-12-7-6-11-16(17)20(26)24(21)18-13(2)9-8-10-14(18)3/h6-12,15H,5H2,1-4H3,(H,22,25)/t15-/m0/s1