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

Systemtic Name: N-tert-butyl-2-[4-[2-[methyl-[(4-methylphenyl)carbamothioyl]amino]ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[methyl(p-tolylcarbamothioyl)amino]acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[methyl-[(4-methylanilino)-sulfanylidenemethyl]amino]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[methyl-[(4-methylphenyl)carbamothioyl]amino]acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[methyl(p-tolylthiocarbamoyl)amino]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C21H34N5O2S+ MolecularWeight: 420.59196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N5O2S/c1-16-6-8-17(9-7-16)22-20(29)24(5)15-19(28)26-12-10-25(11-13-26)14-18(27)23-21(2,3)4/h6-9H,10-15H2,1-5H3,(H,22,29)(H,23,27)/p+1