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

Systemtic Name: phenethyl 4-[[2-(2-dodecoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C31H47N3O6S MolecularWeight: 589.78638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C31H47N3O6S/c1-2-3-4-5-6-7-8-9-10-14-22-39-29(37)24-26-30(38)32-20-21-34(26)31(41)33-27(35)17-18-28(36)40-23-19-25-15-12-11-13-16-25/h11-13,15-16,26H,2-10,14,17-24H2,1H3,(H,32,38)(H,33,35,41)