butyl 2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: butyl 2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: butyl 2-[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]acetic acid butyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)C

Isomeric SMILES

CCCCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)C

InChI

InChI=1S/C22H24N2O3S/c1-3-4-13-27-20(25)15-28-22-23-19-8-6-5-7-18(19)21(26)24(22)14-17-11-9-16(2)10-12-17/h5-12H,3-4,13-15H2,1-2H3