cyclohexyl 4-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]benzoate

Systemtic Name: cyclohexyl 4-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]benzoate Openeye Name: cyclohexyl 4-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 4-[[[[4-(4-tert-butylphenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 4-[4-(4-tert-butylphenoxy)butanoylthiocarbamoylamino]benzoic acid cyclohexyl ester Formula: C28H36N2O4S MolecularWeight: 496.66144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC3CCCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC3CCCCC3

InChI

InChI=1S/C28H36N2O4S/c1-28(2,3)21-13-17-23(18-14-21)33-19-7-10-25(31)30-27(35)29-22-15-11-20(12-16-22)26(32)34-24-8-5-4-6-9-24/h11-18,24H,4-10,19H2,1-3H3,(H2,29,30,31,35)