N-(3-methylsulfanylphenyl)-2-[4-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-methylsulfanylphenyl)-2-[4-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]piperazin-1-ium-1-yl]-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[4-[2-[3-(methylthio)anilino]-2-oxoethyl]-1-piperazin-1-iumyl]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-[2-(3-methylsulfanylanilino)-2-oxoethyl]piperazin-1-ium-1-yl]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[4-[2-keto-2-[3-(methylthio)anilino]ethyl]piperazin-1-ium-1-yl]-N-[3-(methylthio)phenyl]acetamide Formula: C22H29N4O2S2+ MolecularWeight: 445.62126

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)CC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)CC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C22H28N4O2S2/c1-29-19-7-3-5-17(13-19)23-21(27)15-25-9-11-26(12-10-25)16-22(28)24-18-6-4-8-20(14-18)30-2/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,23,27)(H,24,28)/p+1