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

Systemtic Name: [4-[[3-(3-methylphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[[3-(m-tolyl)-2-thioxo-imidazol-1-yl]methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[[3-(3-methylphenyl)-2-sulfanylidene-1-imidazolyl]methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[[3-(3-methylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[[3-(m-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=C1)N2C=CN(C2=S)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

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

InChI

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