2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-methylphenyl)ethanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(o-tolyl)acetamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-(2-methylphenyl)acetamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-(o-tolyl)acetamide Formula: C21H23N3O2S MolecularWeight: 381.49122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3C

InChI

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