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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCC[NH+]4CCOCC4)NC2=S

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCC[NH+]4CCOCC4)NC2=S

InChI

InChI=1S/C24H28N4O4S/c1-31-19-6-3-17(4-7-19)16-28-23(30)20-8-5-18(15-21(20)26-24(28)33)22(29)25-9-2-10-27-11-13-32-14-12-27/h3-8,15H,2,9-14,16H2,1H3,(H,25,29)(H,26,33)/p+1