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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(4-chlorophenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(4-chlorophenyl)methyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(4-chlorophenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(4-chlorobenzyl)-4-keto-N-(2-morpholin-4-ium-4-ylethyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H24ClN4O3S+ MolecularWeight: 459.96896

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H23ClN4O3S/c23-17-4-1-15(2-5-17)14-27-21(29)18-6-3-16(13-19(18)25-22(27)31)20(28)24-7-8-26-9-11-30-12-10-26/h1-6,13H,7-12,14H2,(H,24,28)(H,25,31)/p+1