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

Systemtic Name: cyclohexyl 2-[(2S)-1-(hexanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: cyclohexyl 2-[(2S)-1-(hexanoylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-1-[(1-oxohexylamino)-sulfanylidenemethyl]-2-piperazinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[(2S)-1-(hexanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-(caproylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid cyclohexyl ester Formula: C19H31N3O4S MolecularWeight: 397.53214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OC2CCCCC2

Isomeric SMILES

CCCCCC(=O)NC(=S)N1CCNC(=O)[C@@H]1CC(=O)OC2CCCCC2

InChI

InChI=1S/C19H31N3O4S/c1-2-3-5-10-16(23)21-19(27)22-12-11-20-18(25)15(22)13-17(24)26-14-8-6-4-7-9-14/h14-15H,2-13H2,1H3,(H,20,25)(H,21,23,27)/t15-/m0/s1