N-(2,4-dimethylphenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(2,4-dimethylphenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(2,4-dimethylphenyl)-2-[[4-(ethylamino)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2,4-dimethylphenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(2,4-dimethylphenyl)-2-[[4-(ethylamino)quinazolin-2-yl]thio]propionamide Formula: C21H24N4OS MolecularWeight: 380.50646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SC(C)C(=O)NC3=C(C=C(C=C3)C)C

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SC(C)C(=O)NC3=C(C=C(C=C3)C)C

InChI

InChI=1S/C21H24N4OS/c1-5-22-19-16-8-6-7-9-18(16)24-21(25-19)27-15(4)20(26)23-17-11-10-13(2)12-14(17)3/h6-12,15H,5H2,1-4H3,(H,23,26)(H,22,24,25)