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

Systemtic Name: 2-methylpropyl 4-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]benzoate Openeye Name: isobutyl 4-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 4-[[[[4-(4-tert-butylphenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 4-[4-(4-tert-butylphenoxy)butanoylthiocarbamoylamino]benzoic acid isobutyl ester Formula: C26H34N2O4S MolecularWeight: 470.62416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O4S/c1-18(2)17-32-24(30)19-8-12-21(13-9-19)27-25(33)28-23(29)7-6-16-31-22-14-10-20(11-15-22)26(3,4)5/h8-15,18H,6-7,16-17H2,1-5H3,(H2,27,28,29,33)