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

Systemtic Name: phenethyl 2-[1-(3-cyclohexylpropanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 2-[1-(3-cyclohexylpropanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(3-cyclohexylpropanoylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid phenethyl ester Formula: C24H33N3O4S MolecularWeight: 459.60152

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)CCC(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C24H33N3O4S/c28-21(12-11-18-7-3-1-4-8-18)26-24(32)27-15-14-25-23(30)20(27)17-22(29)31-16-13-19-9-5-2-6-10-19/h2,5-6,9-10,18,20H,1,3-4,7-8,11-17H2,(H,25,30)(H,26,28,32)