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

Systemtic Name: ethyl 3-[2-(2-propan-2-ylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[[2-(2-isopropylphenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 3-[[[[1-oxo-2-(2-propan-2-ylphenoxy)ethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 3-[[2-(2-isopropylphenoxy)acetyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-4-26-20(25)15-8-7-9-16(12-15)22-21(28)23-19(24)13-27-18-11-6-5-10-17(18)14(2)3/h5-12,14H,4,13H2,1-3H3,(H2,22,23,24,28)