butyl 3-[2-(2-propan-2-ylphenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: butyl 3-[2-(2-propan-2-ylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: butyl 3-[[2-(2-isopropylphenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 3-[[[[1-oxo-2-(2-propan-2-ylphenoxy)ethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[[2-(2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 3-[[2-(2-isopropylphenoxy)acetyl]thiocarbamoylamino]benzoic acid butyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)COC2=CC=CC=C2C(C)C

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)COC2=CC=CC=C2C(C)C

InChI

InChI=1S/C23H28N2O4S/c1-4-5-13-28-22(27)17-9-8-10-18(14-17)24-23(30)25-21(26)15-29-20-12-7-6-11-19(20)16(2)3/h6-12,14,16H,4-5,13,15H2,1-3H3,(H2,24,25,26,30)