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

Systemtic Name: phenethyl 4-[[(2R)-2-(2-methoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[(2R)-2-(2-methoxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbothioyl]amino]-4-oxo-butanoate CAS Name: 4-[[[(2R)-2-(2-methoxy-2-oxoethyl)-3-oxo-1-piperazinyl]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[(2R)-2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carbothioyl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[(2R)-3-keto-2-(2-keto-2-methoxy-ethyl)piperazine-1-carbothioyl]amino]butyric acid phenethyl ester Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O6S/c1-28-18(26)13-15-19(27)21-10-11-23(15)20(30)22-16(24)7-8-17(25)29-12-9-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,21,27)(H,22,24,30)/t15-/m1/s1