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

Systemtic Name: 2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propyl-propanamide Openeye Name: 2-[3-(2,6-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-propyl-propanamide CAS Name: 2-[[3-(2,6-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-propylpropanamide IUPAC Name: 2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylpropanamide Traditional Name: 2-[[3-(2,6-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-propyl-propionamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S/c1-5-13-23-20(26)16(4)28-22-24-18-12-7-6-11-17(18)21(27)25(22)19-14(2)9-8-10-15(19)3/h6-12,16H,5,13H2,1-4H3,(H,23,26)