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

Systemtic Name: methyl 4-[[2-(2-butan-2-yloxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-oxo-4-[[3-oxo-2-(2-oxo-2-sec-butoxy-ethyl)piperazine-1-carbothioyl]amino]butanoate CAS Name: 4-[[[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxo-1-piperazinyl]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxopiperazine-1-carbothioyl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-keto-2-(2-keto-2-sec-butoxy-ethyl)piperazine-1-carbothioyl]amino]butyric acid methyl ester Formula: C16H25N3O6S MolecularWeight: 387.4512

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CCC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C16H25N3O6S/c1-4-10(2)25-14(22)9-11-15(23)17-7-8-19(11)16(26)18-12(20)5-6-13(21)24-3/h10-11H,4-9H2,1-3H3,(H,17,23)(H,18,20,26)