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

Systemtic Name: pentyl 4-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]benzoate Openeye Name: pentyl 4-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 4-[[[[4-(4-tert-butylphenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 4-[4-(4-tert-butylphenoxy)butanoylthiocarbamoylamino]benzoic acid amyl ester Formula: C27H36N2O4S MolecularWeight: 484.65074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O4S/c1-5-6-7-18-33-25(31)20-10-14-22(15-11-20)28-26(34)29-24(30)9-8-19-32-23-16-12-21(13-17-23)27(2,3)4/h10-17H,5-9,18-19H2,1-4H3,(H2,28,29,30,34)