N-tert-butyl-2-[4-[2-[(2,3-dimethylphenyl)carbamothioyl-methyl-amino]ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-[(2,3-dimethylphenyl)carbamothioyl-methyl-amino]ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[(2,3-dimethylphenyl)carbamothioyl-methyl-amino]acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[[(2,3-dimethylanilino)-sulfanylidenemethyl]-methylamino]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[(2,3-dimethylphenyl)carbamothioyl-methylamino]acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[(2,3-dimethylphenyl)thiocarbamoyl-methyl-amino]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C22H36N5O2S+ MolecularWeight: 434.61854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N5O2S/c1-16-8-7-9-18(17(16)2)23-21(30)25(6)15-20(29)27-12-10-26(11-13-27)14-19(28)24-22(3,4)5/h7-9H,10-15H2,1-6H3,(H,23,30)(H,24,28)/p+1