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

Systemtic Name: cyclohexyl 2-[1-(furan-2-ylcarbonylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: cyclohexyl 2-[1-(furan-2-carbonylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[2-furanyl(oxo)methyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[1-(furan-2-carbonylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(2-furoylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid cyclohexyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CC2C(=O)NCCN2C(=S)NC(=O)C3=CC=CO3

Isomeric SMILES

C1CCC(CC1)OC(=O)CC2C(=O)NCCN2C(=S)NC(=O)C3=CC=CO3

InChI

InChI=1S/C18H23N3O5S/c22-15(26-12-5-2-1-3-6-12)11-13-16(23)19-8-9-21(13)18(27)20-17(24)14-7-4-10-25-14/h4,7,10,12-13H,1-3,5-6,8-9,11H2,(H,19,23)(H,20,24,27)