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

Systemtic Name: methyl 4-[[2-[2-(3-methylbutoxy)-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[2-(2-isopentyloxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbothioyl]amino]-4-oxo-butanoate CAS Name: 4-[[[2-[2-(3-methylbutoxy)-2-oxoethyl]-3-oxo-1-piperazinyl]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(3-methylbutoxy)-2-oxoethyl]-3-oxopiperazine-1-carbothioyl]amino]-4-oxobutanoate Traditional Name: 4-[[2-(2-isoamoxy-2-keto-ethyl)-3-keto-piperazine-1-carbothioyl]amino]-4-keto-butyric acid methyl ester Formula: C17H27N3O6S MolecularWeight: 401.47778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O6S/c1-11(2)6-9-26-15(23)10-12-16(24)18-7-8-20(12)17(27)19-13(21)4-5-14(22)25-3/h11-12H,4-10H2,1-3H3,(H,18,24)(H,19,21,27)