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

Systemtic Name: 3-phenylpropyl 5-[[2-(2-decoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[2-(2-decoxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbothioyl]amino]-5-oxo-pentanoate CAS Name: 5-[[[2-(2-decoxy-2-oxoethyl)-3-oxo-1-piperazinyl]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[2-(2-decoxy-2-oxoethyl)-3-oxopiperazine-1-carbothioyl]amino]-5-oxopentanoate Traditional Name: 5-[[2-(2-decoxy-2-keto-ethyl)-3-keto-piperazine-1-carbothioyl]amino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C31H47N3O6S MolecularWeight: 589.78638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H47N3O6S/c1-2-3-4-5-6-7-8-12-22-40-29(37)24-26-30(38)32-20-21-34(26)31(41)33-27(35)18-13-19-28(36)39-23-14-17-25-15-10-9-11-16-25/h9-11,15-16,26H,2-8,12-14,17-24H2,1H3,(H,32,38)(H,33,35,41)