3-phenylpropyl 5-oxidanylidene-5-[[3-oxidanylidene-2-(2-oxidanylidene-2-propan-2-yloxy-ethyl)piperazin-1-yl]carbothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[3-oxidanylidene-2-(2-oxidanylidene-2-propan-2-yloxy-ethyl)piperazin-1-yl]carbothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-[[2-(2-isopropoxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbothioyl]amino]-5-oxo-pentanoate CAS Name: 5-oxo-5-[[[3-oxo-2-(2-oxo-2-propan-2-yloxyethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[3-oxo-2-(2-oxo-2-propan-2-yloxyethyl)piperazine-1-carbothioyl]amino]pentanoate Traditional Name: 5-[[2-(2-isopropoxy-2-keto-ethyl)-3-keto-piperazine-1-carbothioyl]amino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C24H33N3O6S MolecularWeight: 491.60032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C24H33N3O6S/c1-17(2)33-22(30)16-19-23(31)25-13-14-27(19)24(34)26-20(28)11-6-12-21(29)32-15-7-10-18-8-4-3-5-9-18/h3-5,8-9,17,19H,6-7,10-16H2,1-2H3,(H,25,31)(H,26,28,34)