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

Systemtic Name: 3-phenylpropyl 4-[[2-(2-dodecoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[2-(2-dodecoxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbothioyl]amino]-4-oxo-butanoate CAS Name: 4-[[[2-(2-dodecoxy-2-oxoethyl)-3-oxo-1-piperazinyl]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[2-(2-dodecoxy-2-oxoethyl)-3-oxopiperazine-1-carbothioyl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-keto-2-(2-keto-2-lauryloxy-ethyl)piperazine-1-carbothioyl]amino]butyric acid 3-phenylpropyl ester Formula: C32H49N3O6S MolecularWeight: 603.81296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H49N3O6S/c1-2-3-4-5-6-7-8-9-10-14-23-41-30(38)25-27-31(39)33-21-22-35(27)32(42)34-28(36)19-20-29(37)40-24-15-18-26-16-12-11-13-17-26/h11-13,16-17,27H,2-10,14-15,18-25H2,1H3,(H,33,39)(H,34,36,42)