S-octyl N-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-propyl-carbamothioate

Systemtic Name: S-octyl N-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-propyl-carbamothioate Openeye Name: S-octyl N-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]-N-propyl-carbamothioate CAS Name: N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-N-propylcarbamothioic acid S-octyl ester IUPAC Name: S-octyl N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-N-propylcarbamothioate Traditional Name: N-[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]-N-propyl-thiocarbamic acid S-octyl ester Formula: C23H38N2O2S MolecularWeight: 406.62502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38N2O2S/c1-5-8-9-10-11-12-17-28-23(27)25(16-6-2)18-21(26)24-22-19(4)14-13-15-20(22)7-3/h13-15H,5-12,16-18H2,1-4H3,(H,24,26)