ethyl 2-[3-oxidanylidene-1-[(3-phenethyloxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[3-oxidanylidene-1-[(3-phenethyloxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[3-oxo-1-[(3-phenethyloxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(3-phenethyloxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-oxo-1-[(3-phenethyloxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(3-phenethyloxybenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid ethyl ester Formula: C24H27N3O5S MolecularWeight: 469.55328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O5S/c1-2-31-21(28)16-20-23(30)25-12-13-27(20)24(33)26-22(29)18-9-6-10-19(15-18)32-14-11-17-7-4-3-5-8-17/h3-10,15,20H,2,11-14,16H2,1H3,(H,25,30)(H,26,29,33)