N-[(4-methoxyphenyl)methyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-[(4-methoxyphenyl)methyl]-6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-[(4-methoxyphenyl)methyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: 6-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-p-anisyl-hexanamide Formula: C22H25N3O3S MolecularWeight: 411.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C22H25N3O3S/c1-28-17-12-10-16(11-13-17)15-23-20(26)9-3-2-6-14-25-21(27)18-7-4-5-8-19(18)24-22(25)29/h4-5,7-8,10-13H,2-3,6,9,14-15H2,1H3,(H,23,26)(H,24,29)