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

Systemtic Name: N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-methyl-N-[2-[2-(methylthio)anilino]-2-oxoethyl]acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[2-keto-2-[2-(methylthio)anilino]ethyl]-N-methyl-acetamide Formula: C23H29N4O3S+ MolecularWeight: 441.56636

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H28N4O3S/c1-25(16-21(28)24-19-10-6-7-11-20(19)31-2)22(29)17-26-12-14-27(15-13-26)23(30)18-8-4-3-5-9-18/h3-11H,12-17H2,1-2H3,(H,24,28)/p+1