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

Systemtic Name: methyl 4-oxidanylidene-4-[[3-oxidanylidene-2-(2-oxidanylidene-2-phenethyloxy-ethyl)piperazin-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-oxo-4-[[3-oxo-2-(2-oxo-2-phenethyloxy-ethyl)piperazine-1-carbothioyl]amino]butanoate CAS Name: 4-oxo-4-[[[3-oxo-2-(2-oxo-2-phenethyloxyethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[[3-oxo-2-(2-oxo-2-phenethyloxyethyl)piperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-keto-4-[[3-keto-2-(2-keto-2-phenethyloxy-ethyl)piperazine-1-carbothioyl]amino]butyric acid methyl ester Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C20H25N3O6S/c1-28-17(25)8-7-16(24)22-20(30)23-11-10-21-19(27)15(23)13-18(26)29-12-9-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,21,27)(H,22,24,30)