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

Systemtic Name: N-tert-butyl-2-[4-[2-[(4-ethylphenyl)carbamothioyl-methyl-amino]ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[(4-ethylphenyl)carbamothioyl-methyl-amino]acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[[(4-ethylanilino)-sulfanylidenemethyl]-methylamino]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[(4-ethylphenyl)carbamothioyl-methylamino]acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[(4-ethylphenyl)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:

CCC1=CC=C(C=C1)NC(=S)N(C)CC(=O)N2CC[NH+](CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(C)CC(=O)N2CC[NH+](CC2)CC(=O)NC(C)(C)C

InChI

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