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

Systemtic Name: propyl 4-[[2-[2-(3-methylbutoxy)-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C19H31N3O6S MolecularWeight: 429.53094

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCCC(C)C

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCCC(C)C

InChI

InChI=1S/C19H31N3O6S/c1-4-10-27-16(24)6-5-15(23)21-19(29)22-9-8-20-18(26)14(22)12-17(25)28-11-7-13(2)3/h13-14H,4-12H2,1-3H3,(H,20,26)(H,21,23,29)