2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide

Systemtic Name: 2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide Openeye Name: 2-(3,6-dimethyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(p-tolylmethyl)propanamide CAS Name: 2-[(3,6-dimethyl-4-oxo-2-quinazolinyl)thio]-N-[(4-methylphenyl)methyl]propanamide IUPAC Name: 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide Traditional Name: 2-[(4-keto-3,6-dimethyl-quinazolin-2-yl)thio]-N-(4-methylbenzyl)propionamide Formula: C21H23N3O2S MolecularWeight: 381.49122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)SC2=NC3=C(C=C(C=C3)C)C(=O)N2C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C(C)SC2=NC3=C(C=C(C=C3)C)C(=O)N2C

InChI

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