methyl 3-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]benzoate

Systemtic Name: methyl 3-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]benzoate Openeye Name: methyl 3-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 3-[[[[4-(4-tert-butylphenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 3-[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(=C2)C(=O)OC

Isomeric SMILES

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

InChI

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