3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide

Systemtic Name: 3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide Openeye Name: 3-(8-methyl-4-oxo-quinazolin-3-yl)-N-[2-(p-tolylsulfanyl)ethyl]propanamide CAS Name: 3-(8-methyl-4-oxo-3-quinazolinyl)-N-[2-[(4-methylphenyl)thio]ethyl]propanamide IUPAC Name: 3-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide Traditional Name: 3-(4-keto-8-methyl-quinazolin-3-yl)-N-[2-(p-tolylthio)ethyl]propionamide Formula: C21H23N3O2S MolecularWeight: 381.49122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)CCN2C=NC3=C(C2=O)C=CC=C3C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)CCN2C=NC3=C(C2=O)C=CC=C3C

InChI

InChI=1S/C21H23N3O2S/c1-15-6-8-17(9-7-15)27-13-11-22-19(25)10-12-24-14-23-20-16(2)4-3-5-18(20)21(24)26/h3-9,14H,10-13H2,1-2H3,(H,22,25)