[4-[[3-(2,5-dimethylphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[[3-(2,5-dimethylphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[[3-(2,5-dimethylphenyl)-2-thioxo-imidazol-1-yl]methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[[3-(2,5-dimethylphenyl)-2-sulfanylidene-1-imidazolyl]methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[[3-(2,5-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[[3-(2,5-dimethylphenyl)-2-thioxo-4-imidazolin-1-yl]methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C21H25N4OS2+ MolecularWeight: 413.5794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=CN(C2=S)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=CN(C2=S)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H24N4OS2/c1-16-5-6-17(2)18(14-16)25-12-11-24(21(25)27)15-22-7-9-23(10-8-22)20(26)19-4-3-13-28-19/h3-6,11-14H,7-10,15H2,1-2H3/p+1