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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C

InChI

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