hexyl 4-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: hexyl 4-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: hexyl 4-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(3-methyl-4-propan-2-ylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]thiocarbamoylamino]benzoic acid hexyl ester Formula: C26H34N2O4S MolecularWeight: 470.62416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=CC(=C(C=C2)C(C)C)C

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=CC(=C(C=C2)C(C)C)C

InChI

InChI=1S/C26H34N2O4S/c1-5-6-7-8-15-31-25(30)20-9-11-21(12-10-20)27-26(33)28-24(29)17-32-22-13-14-23(18(2)3)19(4)16-22/h9-14,16,18H,5-8,15,17H2,1-4H3,(H2,27,28,29,33)