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

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-6-thioxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-6-thioxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide Formula: C21H22N5O2S+ MolecularWeight: 408.49668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2S/c27-20(22-7-8-25-9-11-28-12-10-25)14-5-6-15-17(13-14)24-21(29)26-18-4-2-1-3-16(18)23-19(15)26/h1-6,13H,7-12H2,(H,22,27)(H,24,29)/p+1