methyl 4-[2-(4-tert-butylphenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[2-(4-tert-butylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: methyl 4-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(4-tert-butylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

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