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

Systemtic Name: decyl 2-[1-(hexanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: decyl 2-[1-(hexanoylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[(1-oxohexylamino)-sulfanylidenemethyl]-2-piperazinyl]acetic acid decyl ester IUPAC Name: decyl 2-[1-(hexanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(caproylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid decyl ester Formula: C23H41N3O4S MolecularWeight: 455.65434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCCCC

Isomeric SMILES

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCCCC

InChI

InChI=1S/C23H41N3O4S/c1-3-5-7-8-9-10-11-13-17-30-21(28)18-19-22(29)24-15-16-26(19)23(31)25-20(27)14-12-6-4-2/h19H,3-18H2,1-2H3,(H,24,29)(H,25,27,31)