3-phenylpropyl 4-oxidanylidene-4-[[3-oxidanylidene-2-(2-oxidanylidene-2-phenethyloxy-ethyl)piperazin-1-yl]carbothioylamino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[3-oxidanylidene-2-(2-oxidanylidene-2-phenethyloxy-ethyl)piperazin-1-yl]carbothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[[3-oxo-2-(2-oxo-2-phenethyloxy-ethyl)piperazine-1-carbothioyl]amino]butanoate CAS Name: 4-oxo-4-[[[3-oxo-2-(2-oxo-2-phenethyloxyethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[3-oxo-2-(2-oxo-2-phenethyloxyethyl)piperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-keto-4-[[3-keto-2-(2-keto-2-phenethyloxy-ethyl)piperazine-1-carbothioyl]amino]butyric acid 3-phenylpropyl ester Formula: C28H33N3O6S MolecularWeight: 539.64312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C28H33N3O6S/c32-24(13-14-25(33)36-18-7-12-21-8-3-1-4-9-21)30-28(38)31-17-16-29-27(35)23(31)20-26(34)37-19-15-22-10-5-2-6-11-22/h1-6,8-11,23H,7,12-20H2,(H,29,35)(H,30,32,38)