O-hexyl [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethanethioate

Systemtic Name: O-hexyl [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethanethioate Openeye Name: O-hexyl [2-(4-methylanilino)-2-oxo-ethyl]sulfanylmethanethioate CAS Name: [[2-(4-methylanilino)-2-oxoethyl]thio]methanethioic acid O-hexyl ester IUPAC Name: O-hexyl [2-(4-methylanilino)-2-oxoethyl]sulfanylmethanethioate Traditional Name: [[2-keto-2-(p-toluidino)ethyl]thio]methanethioic acid O-hexyl ester Formula: C16H23NO2S2 MolecularWeight: 325.48932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=S)SCC(=O)NC1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCOC(=S)SCC(=O)NC1=CC=C(C=C1)C

InChI

InChI=1S/C16H23NO2S2/c1-3-4-5-6-11-19-16(20)21-12-15(18)17-14-9-7-13(2)8-10-14/h7-10H,3-6,11-12H2,1-2H3,(H,17,18)