ethyl 2-[1-(3-cyclohexylpropanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[1-(3-cyclohexylpropanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[1-(3-cyclohexylpropanoylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[(3-cyclohexyl-1-oxopropyl)amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(3-cyclohexylpropanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-cyclohexylpropanoylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid ethyl ester Formula: C18H29N3O4S MolecularWeight: 383.50556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC2CCCCC2

Isomeric SMILES

CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC2CCCCC2

InChI

InChI=1S/C18H29N3O4S/c1-2-25-16(23)12-14-17(24)19-10-11-21(14)18(26)20-15(22)9-8-13-6-4-3-5-7-13/h13-14H,2-12H2,1H3,(H,19,24)(H,20,22,26)