S-octyl N-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]-N-propyl-carbamothioate

Systemtic Name: S-octyl N-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]-N-propyl-carbamothioate Openeye Name: S-octyl N-[2-(2,6-diethylanilino)-2-oxo-ethyl]-N-propyl-carbamothioate CAS Name: N-[2-(2,6-diethylanilino)-2-oxoethyl]-N-propylcarbamothioic acid S-octyl ester IUPAC Name: S-octyl N-[2-(2,6-diethylanilino)-2-oxoethyl]-N-propylcarbamothioate Traditional Name: N-[2-(2,6-diethylanilino)-2-keto-ethyl]-N-propyl-thiocarbamic acid S-octyl ester Formula: C24H40N2O2S MolecularWeight: 420.6516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC(=O)N(CCC)CC(=O)NC1=C(C=CC=C1CC)CC

Isomeric SMILES

CCCCCCCCSC(=O)N(CCC)CC(=O)NC1=C(C=CC=C1CC)CC

InChI

InChI=1S/C24H40N2O2S/c1-5-9-10-11-12-13-18-29-24(28)26(17-6-2)19-22(27)25-23-20(7-3)15-14-16-21(23)8-4/h14-16H,5-13,17-19H2,1-4H3,(H,25,27)