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

Systemtic Name: methyl 2-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]benzoate Openeye Name: methyl 2-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 2-[[[[4-(4-tert-butylphenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 2-[4-(4-tert-butylphenoxy)butanoylthiocarbamoylamino]benzoic acid methyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC(=S)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC(=S)NC2=CC=CC=C2C(=O)OC

InChI

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