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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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