methyl 4-oxidanylidene-4-[[3-oxidanylidene-2-(2-oxidanylidene-2-phenylmethoxy-ethyl)piperazin-1-yl]carbothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[[3-oxidanylidene-2-(2-oxidanylidene-2-phenylmethoxy-ethyl)piperazin-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[[2-(2-benzyloxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbothioyl]amino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[3-oxo-2-(2-oxo-2-phenylmethoxyethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[[3-oxo-2-(2-oxo-2-phenylmethoxyethyl)piperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-[[2-(2-benzoxy-2-keto-ethyl)-3-keto-piperazine-1-carbothioyl]amino]-4-keto-butyric acid methyl ester Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H23N3O6S/c1-27-16(24)8-7-15(23)21-19(29)22-10-9-20-18(26)14(22)11-17(25)28-12-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,20,26)(H,21,23,29)