[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 4-(4-acetylpiperazin-1-yl)-4-oxo-butanoate CAS Name: 4-(4-acetyl-1-piperazinyl)-4-oxobutanoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 4-(4-acetylpiperazin-1-yl)-4-oxobutanoate Traditional Name: 4-(4-acetylpiperazino)-4-keto-butyric acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CCC(=O)OCC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CCC(=O)OCC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C19H25N3O5S/c1-14(23)21-9-11-22(12-10-21)18(25)7-8-19(26)27-13-17(24)20-15-5-3-4-6-16(15)28-2/h3-6H,7-13H2,1-2H3,(H,20,24)