N-(3-morpholin-4-ium-4-ylpropyl)-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-6-thioxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-6-thioxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide Formula: C22H24N5O2S+ MolecularWeight: 422.52326

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=S)N3

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=S)N3

InChI

InChI=1S/C22H23N5O2S/c28-21(23-8-3-9-26-10-12-29-13-11-26)15-6-7-16-18(14-15)25-22(30)27-19-5-2-1-4-17(19)24-20(16)27/h1-2,4-7,14H,3,8-13H2,(H,23,28)(H,25,30)/p+1