(4-cyanophenyl) 2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (4-cyanophenyl) 2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (4-cyanophenyl) 2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]benzoic acid (4-cyanophenyl) ester Formula: C23H24N2O3S MolecularWeight: 408.51326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H24N2O3S/c24-14-17-10-12-19(13-11-17)28-23(27)20-8-4-5-9-21(20)29-16-22(26)25-15-18-6-2-1-3-7-18/h4-5,8-13,18H,1-3,6-7,15-16H2,(H,25,26)