methyl 4-[[3-oxidanylidene-2-(2-oxidanylidene-2-phenethyloxy-ethyl)piperazin-1-yl]carbothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[3-oxidanylidene-2-(2-oxidanylidene-2-phenethyloxy-ethyl)piperazin-1-yl]carbothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[3-oxo-2-(2-oxo-2-phenethyloxy-ethyl)piperazine-1-carbothioyl]carbamoyl]benzoate CAS Name: 4-[oxo-[[[3-oxo-2-(2-oxo-2-phenethyloxyethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-oxo-2-(2-oxo-2-phenethyloxyethyl)piperazine-1-carbothioyl]carbamoyl]benzoate Traditional Name: 4-[[3-keto-2-(2-keto-2-phenethyloxy-ethyl)piperazine-1-carbothioyl]carbamoyl]benzoic acid methyl ester Formula: C24H25N3O6S MolecularWeight: 483.5368

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C24H25N3O6S/c1-32-23(31)18-9-7-17(8-10-18)21(29)26-24(34)27-13-12-25-22(30)19(27)15-20(28)33-14-11-16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3,(H,25,30)(H,26,29,34)