2-methylpropyl 4-[2-(2-propan-2-ylphenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: 2-methylpropyl 4-[2-(2-propan-2-ylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: isobutyl 4-[[2-(2-isopropylphenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[1-oxo-2-(2-propan-2-ylphenoxy)ethyl]amino]-sulfanylidenemethyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[2-(2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(2-isopropylphenoxy)acetyl]thiocarbamoylamino]benzoic acid isobutyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-15(2)13-29-22(27)17-9-11-18(12-10-17)24-23(30)25-21(26)14-28-20-8-6-5-7-19(20)16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H2,24,25,26,30)