ethyl (E)-4-[[2-(2-dodecoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[2-(2-dodecoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[2-(2-dodecoxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbothioyl]amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[2-(2-dodecoxy-2-oxoethyl)-3-oxo-1-piperazinyl]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[2-(2-dodecoxy-2-oxoethyl)-3-oxopiperazine-1-carbothioyl]amino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[[3-keto-2-(2-keto-2-lauryloxy-ethyl)piperazine-1-carbothioyl]amino]but-2-enoic acid ethyl ester Formula: C25H41N3O6S MolecularWeight: 511.67454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C=CC(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)/C=C/C(=O)OCC

InChI

InChI=1S/C25H41N3O6S/c1-3-5-6-7-8-9-10-11-12-13-18-34-23(31)19-20-24(32)26-16-17-28(20)25(35)27-21(29)14-15-22(30)33-4-2/h14-15,20H,3-13,16-19H2,1-2H3,(H,26,32)(H,27,29,35)/b15-14+