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

Systemtic Name: dodecyl 2-[3-oxidanylidene-1-(phenylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: dodecyl 2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate CAS Name: 2-[1-[anilino(sulfanylidene)methyl]-3-oxo-2-piperazinyl]acetic acid dodecyl ester IUPAC Name: dodecyl 2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(phenylthiocarbamoyl)piperazin-2-yl]acetic acid lauryl ester Formula: C25H39N3O3S MolecularWeight: 461.66046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39N3O3S/c1-2-3-4-5-6-7-8-9-10-14-19-31-23(29)20-22-24(30)26-17-18-28(22)25(32)27-21-15-12-11-13-16-21/h11-13,15-16,22H,2-10,14,17-20H2,1H3,(H,26,30)(H,27,32)