2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propyl-propanamide

Systemtic Name: 2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propyl-propanamide Openeye Name: 2-[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanyl-N-propyl-propanamide CAS Name: 2-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-propylpropanamide IUPAC Name: 2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylpropanamide Traditional Name: 2-[[4-keto-3-(p-tolyl)quinazolin-2-yl]thio]-N-propyl-propionamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C

Isomeric SMILES

CCCNC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C

InChI

InChI=1S/C21H23N3O2S/c1-4-13-22-19(25)15(3)27-21-23-18-8-6-5-7-17(18)20(26)24(21)16-11-9-14(2)10-12-16/h5-12,15H,4,13H2,1-3H3,(H,22,25)