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

Systemtic Name: (2S)-2-[3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-prop-2-enyl-propanamide Openeye Name: (2S)-N-allyl-2-[3-(2,3-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2S)-2-[[3-(2,3-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-prop-2-enylpropanamide IUPAC Name: (2S)-2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-prop-2-enylpropanamide Traditional Name: (2S)-N-allyl-2-[[3-(2,3-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2S/c1-5-13-23-20(26)16(4)28-22-24-18-11-7-6-10-17(18)21(27)25(22)19-12-8-9-14(2)15(19)3/h5-12,16H,1,13H2,2-4H3,(H,23,26)/t16-/m0/s1