[1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: [1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: [1-methyl-2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 4-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 4-[(2-methyl-4-thiazolyl)methylthio]benzoic acid [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 4-[(2-methylthiazol-4-yl)methylthio]benzoic acid [2-keto-1-methyl-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C22H28N2O3S2 MolecularWeight: 432.59932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC=C(C=C2)SCC3=CSC(=N3)C

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)OC(=O)C2=CC=C(C=C2)SCC3=CSC(=N3)C

InChI

InChI=1S/C22H28N2O3S2/c1-14-6-4-5-7-20(14)24-21(25)15(2)27-22(26)17-8-10-19(11-9-17)29-13-18-12-28-16(3)23-18/h8-12,14-15,20H,4-7,13H2,1-3H3,(H,24,25)