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

Systemtic Name: 3-phenylpropyl 5-[[2-(2-dodecoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[2-(2-dodecoxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbothioyl]amino]-5-oxo-pentanoate CAS Name: 5-[[[2-(2-dodecoxy-2-oxoethyl)-3-oxo-1-piperazinyl]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[2-(2-dodecoxy-2-oxoethyl)-3-oxopiperazine-1-carbothioyl]amino]-5-oxopentanoate Traditional Name: 5-keto-5-[[3-keto-2-(2-keto-2-lauryloxy-ethyl)piperazine-1-carbothioyl]amino]valeric acid 3-phenylpropyl ester Formula: C33H51N3O6S MolecularWeight: 617.83954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H51N3O6S/c1-2-3-4-5-6-7-8-9-10-14-24-42-31(39)26-28-32(40)34-22-23-36(28)33(43)35-29(37)20-15-21-30(38)41-25-16-19-27-17-12-11-13-18-27/h11-13,17-18,28H,2-10,14-16,19-26H2,1H3,(H,34,40)(H,35,37,43)