O-propan-2-yl [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethanethioate

Systemtic Name: O-propan-2-yl [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethanethioate Openeye Name: O-isopropyl [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl]sulfanylmethanethioate CAS Name: [[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]thio]methanethioic acid O-propan-2-yl ester IUPAC Name: O-propan-2-yl [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]sulfanylmethanethioate Traditional Name: [[2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl]thio]methanethioic acid O-isopropyl ester Formula: C17H22N2O2S2 MolecularWeight: 350.49878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC(=S)OC(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC(=S)OC(C)C)C

InChI

InChI=1S/C17H22N2O2S2/c1-12(2)21-17(22)23-11-16(20)19(7-5-6-18)15-9-13(3)8-14(4)10-15/h8-10,12H,5,7,11H2,1-4H3