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

Systemtic Name: propyl 3-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]benzoate Openeye Name: propyl 3-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 3-[[[[4-(4-tert-butylphenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 3-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 3-[4-(4-tert-butylphenoxy)butanoylthiocarbamoylamino]benzoic acid propyl ester Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4S/c1-5-15-31-23(29)18-8-6-9-20(17-18)26-24(32)27-22(28)10-7-16-30-21-13-11-19(12-14-21)25(2,3)4/h6,8-9,11-14,17H,5,7,10,15-16H2,1-4H3,(H2,26,27,28,32)