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

Systemtic Name: 3-phenylpropyl 5-[[2-(2-ethoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[2-(2-ethoxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbothioyl]amino]-5-oxo-pentanoate CAS Name: 5-[[[2-(2-ethoxy-2-oxoethyl)-3-oxo-1-piperazinyl]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carbothioyl]amino]-5-oxopentanoate Traditional Name: 5-[[2-(2-ethoxy-2-keto-ethyl)-3-keto-piperazine-1-carbothioyl]amino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C23H31N3O6S MolecularWeight: 477.57374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O6S/c1-2-31-21(29)16-18-22(30)24-13-14-26(18)23(33)25-19(27)11-6-12-20(28)32-15-7-10-17-8-4-3-5-9-17/h3-5,8-9,18H,2,6-7,10-16H2,1H3,(H,24,30)(H,25,27,33)