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

Systemtic Name: (4-cyclohexylpiperazin-4-ium-1-yl)-(6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazolin-3-yl)methanone Openeye Name: (4-cyclohexylpiperazin-4-ium-1-yl)-(6-thioxo-5H-benzimidazolo[1,2-c]quinazolin-3-yl)methanone CAS Name: (4-cyclohexyl-1-piperazin-4-iumyl)-(6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazolin-3-yl)methanone IUPAC Name: (4-cyclohexylpiperazin-4-ium-1-yl)-(6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazolin-3-yl)methanone Traditional Name: (4-cyclohexylpiperazin-4-ium-1-yl)-(6-thioxo-5H-benzimidazolo[1,2-c]quinazolin-3-yl)methanone Formula: C25H28N5OS+ MolecularWeight: 446.58772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)C5=NC6=CC=CC=C6N5C(=S)N4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)C5=NC6=CC=CC=C6N5C(=S)N4

InChI

InChI=1S/C25H27N5OS/c31-24(29-14-12-28(13-15-29)18-6-2-1-3-7-18)17-10-11-19-21(16-17)27-25(32)30-22-9-5-4-8-20(22)26-23(19)30/h4-5,8-11,16,18H,1-3,6-7,12-15H2,(H,27,32)/p+1