N'-(4-methylphenyl)-N-[2-[4-(phenylcarbamothioyl)piperazin-1-ium-1-yl]ethyl]ethanediamide

Systemtic Name: N'-(4-methylphenyl)-N-[2-[4-(phenylcarbamothioyl)piperazin-1-ium-1-yl]ethyl]ethanediamide Openeye Name: N-[2-[4-(phenylcarbamothioyl)piperazin-1-ium-1-yl]ethyl]-N'-(p-tolyl)oxamide CAS Name: N-[2-[4-[anilino(sulfanylidene)methyl]-1-piperazin-1-iumyl]ethyl]-N'-(4-methylphenyl)oxamide IUPAC Name: N'-(4-methylphenyl)-N-[2-[4-(phenylcarbamothioyl)piperazin-1-ium-1-yl]ethyl]oxamide Traditional Name: N-[2-[4-(phenylthiocarbamoyl)piperazin-1-ium-1-yl]ethyl]-N'-(p-tolyl)oxamide Formula: C22H28N5O2S+ MolecularWeight: 426.55502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)C(=S)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C22H27N5O2S/c1-17-7-9-19(10-8-17)24-21(29)20(28)23-11-12-26-13-15-27(16-14-26)22(30)25-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,23,28)(H,24,29)(H,25,30)/p+1