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

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-(6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazolin-3-yl)methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-(6-thioxo-5H-benzimidazolo[1,2-c]quinazolin-3-yl)methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-(6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazolin-3-yl)methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-(6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazolin-3-yl)methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-(6-thioxo-5H-benzimidazolo[1,2-c]quinazolin-3-yl)methanone Formula: C21H22N5OS+ MolecularWeight: 392.49728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5OS/c1-2-24-9-11-25(12-10-24)20(27)14-7-8-15-17(13-14)23-21(28)26-18-6-4-3-5-16(18)22-19(15)26/h3-8,13H,2,9-12H2,1H3,(H,23,28)/p+1