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

Systemtic Name: [4-[[3-(2-methylphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[[3-(o-tolyl)-2-thioxo-imidazol-1-yl]methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[[3-(2-methylphenyl)-2-sulfanylidene-1-imidazolyl]methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[[3-(2-methylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[[3-(o-tolyl)-2-thioxo-4-imidazolin-1-yl]methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C20H23N4OS2+ MolecularWeight: 399.55282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=CN(C2=S)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1N2C=CN(C2=S)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C20H22N4OS2/c1-16-5-2-3-6-17(16)24-13-12-23(20(24)26)15-21-8-10-22(11-9-21)19(25)18-7-4-14-27-18/h2-7,12-14H,8-11,15H2,1H3/p+1