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

Systemtic Name: S-octyl N-ethyl-N-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]carbamothioate Openeye Name: S-octyl N-ethyl-N-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]carbamothioate CAS Name: N-ethyl-N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]carbamothioic acid S-octyl ester IUPAC Name: S-octyl N-ethyl-N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]carbamothioate Traditional Name: N-ethyl-N-[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]thiocarbamic acid S-octyl ester Formula: C22H36N2O2S MolecularWeight: 392.59844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N2O2S/c1-5-8-9-10-11-12-16-27-22(26)24(7-3)17-20(25)23-21-18(4)14-13-15-19(21)6-2/h13-15H,5-12,16-17H2,1-4H3,(H,23,25)