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

Systemtic Name: cyclohexyl 2-[1-(3-cyclohexylpropanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 2-[1-(3-cyclohexylpropanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-cyclohexylpropanoylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid cyclohexyl ester Formula: C22H35N3O4S MolecularWeight: 437.596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC3CCCCC3

Isomeric SMILES

C1CCC(CC1)CCC(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC3CCCCC3

InChI

InChI=1S/C22H35N3O4S/c26-19(12-11-16-7-3-1-4-8-16)24-22(30)25-14-13-23-21(28)18(25)15-20(27)29-17-9-5-2-6-10-17/h16-18H,1-15H2,(H,23,28)(H,24,26,30)