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

Systemtic Name: 3-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(4-methoxyphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-(4-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H27N4O4S+ MolecularWeight: 455.54988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCC[NH+]4CCOCC4)NC2=S

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCC[NH+]4CCOCC4)NC2=S

InChI

InChI=1S/C23H26N4O4S/c1-30-18-6-4-17(5-7-18)27-22(29)19-8-3-16(15-20(19)25-23(27)32)21(28)24-9-2-10-26-11-13-31-14-12-26/h3-8,15H,2,9-14H2,1H3,(H,24,28)(H,25,32)/p+1