N-[(4-methoxyphenyl)methyl]-4-oxidanylidene-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-4-oxidanylidene-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(4-methoxyphenyl)methyl]-4-oxo-3-pentyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(4-methoxyphenyl)methyl]-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-amyl-4-keto-N-p-anisyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H25N3O3S MolecularWeight: 411.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)OC)NC1=S

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)OC)NC1=S

InChI

InChI=1S/C22H25N3O3S/c1-3-4-5-12-25-21(27)18-11-8-16(13-19(18)24-22(25)29)20(26)23-14-15-6-9-17(28-2)10-7-15/h6-11,13H,3-5,12,14H2,1-2H3,(H,23,26)(H,24,29)