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

Systemtic Name: decyl 2-[1-(furan-2-ylcarbonylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: decyl 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 decyl ester IUPAC Name: decyl 2-[1-(furan-2-carbonylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(2-furoylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid decyl ester Formula: C22H33N3O5S MolecularWeight: 451.57952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CO2

Isomeric SMILES

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CO2

InChI

InChI=1S/C22H33N3O5S/c1-2-3-4-5-6-7-8-9-14-30-19(26)16-17-20(27)23-12-13-25(17)22(31)24-21(28)18-11-10-15-29-18/h10-11,15,17H,2-9,12-14,16H2,1H3,(H,23,27)(H,24,28,31)