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

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-2-(3,6-dimethyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-2-[(3,6-dimethyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[4-(dimethylamino)benzyl]-2-[(4-keto-3,6-dimethyl-quinazolin-2-yl)thio]acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)NCC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)NCC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H24N4O2S/c1-14-5-10-18-17(11-14)20(27)25(4)21(23-18)28-13-19(26)22-12-15-6-8-16(9-7-15)24(2)3/h5-11H,12-13H2,1-4H3,(H,22,26)