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

Systemtic Name: 3-phenylpropyl 4-[[2-(2-butan-2-yloxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[[3-oxo-2-(2-oxo-2-sec-butoxy-ethyl)piperazine-1-carbothioyl]amino]butanoate CAS Name: 4-[[[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxo-1-piperazinyl]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxopiperazine-1-carbothioyl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-keto-2-(2-keto-2-sec-butoxy-ethyl)piperazine-1-carbothioyl]amino]butyric acid 3-phenylpropyl ester Formula: C24H33N3O6S MolecularWeight: 491.60032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O6S/c1-3-17(2)33-22(30)16-19-23(31)25-13-14-27(19)24(34)26-20(28)11-12-21(29)32-15-7-10-18-8-5-4-6-9-18/h4-6,8-9,17,19H,3,7,10-16H2,1-2H3,(H,25,31)(H,26,28,34)