N-(3,4-dimethylphenyl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-(3,4-dimethylphenyl)-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-(3,4-dimethylphenyl)-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-(3,4-dimethylphenyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-(3,4-dimethylphenyl)-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: N-(3,4-dimethylphenyl)-6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanamide Formula: C22H25N3O2S MolecularWeight: 395.5178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)C

InChI

InChI=1S/C22H25N3O2S/c1-15-11-12-17(14-16(15)2)23-20(26)10-4-3-7-13-25-21(27)18-8-5-6-9-19(18)24-22(25)28/h5-6,8-9,11-12,14H,3-4,7,10,13H2,1-2H3,(H,23,26)(H,24,28)