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

Systemtic Name: (phenylmethyl) 2-[1-(3-cyclohexylpropanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 2-[1-(3-cyclohexylpropanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-cyclohexylpropanoylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid benzyl ester Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)CCC(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O4S/c27-20(12-11-17-7-3-1-4-8-17)25-23(31)26-14-13-24-22(29)19(26)15-21(28)30-16-18-9-5-2-6-10-18/h2,5-6,9-10,17,19H,1,3-4,7-8,11-16H2,(H,24,29)(H,25,27,31)