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

Systemtic Name: decyl 2-[3-oxidanylidene-1-(phenylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: decyl 2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate CAS Name: 2-[1-[anilino(sulfanylidene)methyl]-3-oxo-2-piperazinyl]acetic acid decyl ester IUPAC Name: decyl 2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(phenylthiocarbamoyl)piperazin-2-yl]acetic acid decyl ester Formula: C23H35N3O3S MolecularWeight: 433.6073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC2=CC=CC=C2

InChI

InChI=1S/C23H35N3O3S/c1-2-3-4-5-6-7-8-12-17-29-21(27)18-20-22(28)24-15-16-26(20)23(30)25-19-13-10-9-11-14-19/h9-11,13-14,20H,2-8,12,15-18H2,1H3,(H,24,28)(H,25,30)