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

Systemtic Name: 3-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(2-methoxyphenyl)methyl]-N-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-(3-morpholin-4-ium-4-ylpropyl)-3-o-anisyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H29N4O4S+ MolecularWeight: 469.57646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCC[NH+]4CCOCC4)NC2=S

Isomeric SMILES

COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCC[NH+]4CCOCC4)NC2=S

InChI

InChI=1S/C24H28N4O4S/c1-31-21-6-3-2-5-18(21)16-28-23(30)19-8-7-17(15-20(19)26-24(28)33)22(29)25-9-4-10-27-11-13-32-14-12-27/h2-3,5-8,15H,4,9-14,16H2,1H3,(H,25,29)(H,26,33)/p+1