N-(2,3-dimethylphenyl)-2-[4-(methylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(methylcarbamothioyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(methylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[methylamino(sulfanylidene)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(methylcarbamothioyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-(methylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C16H25N4OS+ MolecularWeight: 321.4609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=S)NC)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=S)NC)C

InChI

InChI=1S/C16H24N4OS/c1-12-5-4-6-14(13(12)2)18-15(21)11-19-7-9-20(10-8-19)16(22)17-3/h4-6H,7-11H2,1-3H3,(H,17,22)(H,18,21)/p+1