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

Systemtic Name: propyl 4-[[2-(2-dodecoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C26H45N3O6S MolecularWeight: 527.717

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC(=O)OCCC

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC(=O)OCCC

InChI

InChI=1S/C26H45N3O6S/c1-3-5-6-7-8-9-10-11-12-13-19-35-24(32)20-21-25(33)27-16-17-29(21)26(36)28-22(30)14-15-23(31)34-18-4-2/h21H,3-20H2,1-2H3,(H,27,33)(H,28,30,36)