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

Systemtic Name: hexyl 4-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]benzoate Openeye Name: hexyl 4-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 4-[[[[4-(4-tert-butylphenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 4-[4-(4-tert-butylphenoxy)butanoylthiocarbamoylamino]benzoic acid hexyl ester Formula: C28H38N2O4S MolecularWeight: 498.67732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCCOC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCCOC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C28H38N2O4S/c1-5-6-7-8-19-34-26(32)21-11-15-23(16-12-21)29-27(35)30-25(31)10-9-20-33-24-17-13-22(14-18-24)28(2,3)4/h11-18H,5-10,19-20H2,1-4H3,(H2,29,30,31,35)