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

Systemtic Name: phenethyl 4-oxidanylidene-4-[[3-oxidanylidene-2-(2-oxidanylidene-2-propan-2-yloxy-ethyl)piperazin-1-yl]carbothioylamino]butanoate Openeye Name: phenethyl 4-[[2-(2-isopropoxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbothioyl]amino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[3-oxo-2-(2-oxo-2-propan-2-yloxyethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[[3-oxo-2-(2-oxo-2-propan-2-yloxyethyl)piperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-[[2-(2-isopropoxy-2-keto-ethyl)-3-keto-piperazine-1-carbothioyl]amino]-4-keto-butyric acid phenethyl ester Formula: C22H29N3O6S MolecularWeight: 463.54716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O6S/c1-15(2)31-20(28)14-17-21(29)23-11-12-25(17)22(32)24-18(26)8-9-19(27)30-13-10-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3,(H,23,29)(H,24,26,32)