(2S)-N-tert-butyl-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-tert-butyl-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-tert-butyl-2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2S)-N-tert-butyl-2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-tert-butyl-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-tert-butyl-2-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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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(C)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S/c1-14-11-15(2)13-17(12-14)26-21(28)18-9-7-8-10-19(18)24-22(26)29-16(3)20(27)25-23(4,5)6/h7-13,16H,1-6H3,(H,25,27)/t16-/m0/s1