(4-methylpiperazin-4-ium-1-yl)-(6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazolin-3-yl)methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-(6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazolin-3-yl)methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-(6-thioxo-5H-benzimidazolo[1,2-c]quinazolin-3-yl)methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-(6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazolin-3-yl)methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-(6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazolin-3-yl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-(6-thioxo-5H-benzimidazolo[1,2-c]quinazolin-3-yl)methanone Formula: C20H20N5OS+ MolecularWeight: 378.4707

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=S)N3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=S)N3

InChI

InChI=1S/C20H19N5OS/c1-23-8-10-24(11-9-23)19(26)13-6-7-14-16(12-13)22-20(27)25-17-5-3-2-4-15(17)21-18(14)25/h2-7,12H,8-11H2,1H3,(H,22,27)/p+1