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

Systemtic Name: N-(3-pyrrolidin-1-ium-1-ylpropyl)-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide Openeye Name: N-(3-pyrrolidin-1-ium-1-ylpropyl)-6-thioxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide CAS Name: N-[3-(1-pyrrolidin-1-iumyl)propyl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide IUPAC Name: N-(3-pyrrolidin-1-ium-1-ylpropyl)-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide Traditional Name: N-(3-pyrrolidin-1-ium-1-ylpropyl)-6-thioxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide Formula: C22H24N5OS+ MolecularWeight: 406.52386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=S)N3

Isomeric SMILES

C1CC[NH+](C1)CCCNC(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=S)N3

InChI

InChI=1S/C22H23N5OS/c28-21(23-10-5-13-26-11-3-4-12-26)15-8-9-16-18(14-15)25-22(29)27-19-7-2-1-6-17(19)24-20(16)27/h1-2,6-9,14H,3-5,10-13H2,(H,23,28)(H,25,29)/p+1