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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[(3-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(m-tolylcarbamothioyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(3-methylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[(3-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-(m-tolylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C22H29N4OS+ MolecularWeight: 397.55686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3C)C

InChI

InChI=1S/C22H28N4OS/c1-16-6-4-8-19(14-16)23-22(28)26-12-10-25(11-13-26)15-21(27)24-20-9-5-7-17(2)18(20)3/h4-9,14H,10-13,15H2,1-3H3,(H,23,28)(H,24,27)/p+1