N-(3,5-dimethylphenyl)-4-oxidanylidene-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-oxidanylidene-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-4-oxo-3-pentyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3,5-dimethylphenyl)-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3,5-dimethylphenyl)-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-amyl-N-(3,5-dimethylphenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H25N3O2S MolecularWeight: 395.5178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC(=C3)C)C)NC1=S

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC(=C3)C)C)NC1=S

InChI

InChI=1S/C22H25N3O2S/c1-4-5-6-9-25-21(27)18-8-7-16(13-19(18)24-22(25)28)20(26)23-17-11-14(2)10-15(3)12-17/h7-8,10-13H,4-6,9H2,1-3H3,(H,23,26)(H,24,28)