phenethyl 4-[[(2R)-2-(2-ethoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[(2R)-2-(2-ethoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[(2R)-2-(2-ethoxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbothioyl]amino]-4-oxo-butanoate CAS Name: 4-[[[(2R)-2-(2-ethoxy-2-oxoethyl)-3-oxo-1-piperazinyl]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[(2R)-2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carbothioyl]amino]-4-oxobutanoate Traditional Name: 4-[[(2R)-2-(2-ethoxy-2-keto-ethyl)-3-keto-piperazine-1-carbothioyl]amino]-4-keto-butyric acid phenethyl ester Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C21H27N3O6S/c1-2-29-19(27)14-16-20(28)22-11-12-24(16)21(31)23-17(25)8-9-18(26)30-13-10-15-6-4-3-5-7-15/h3-7,16H,2,8-14H2,1H3,(H,22,28)(H,23,25,31)/t16-/m1/s1