propan-2-yl 4-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]benzoate

Systemtic Name: propan-2-yl 4-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]benzoate Openeye Name: isopropyl 4-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 4-[[[[4-(4-tert-butylphenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-(4-tert-butylphenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 4-[4-(4-tert-butylphenoxy)butanoylthiocarbamoylamino]benzoic acid isopropyl ester Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4S/c1-17(2)31-23(29)18-8-12-20(13-9-18)26-24(32)27-22(28)7-6-16-30-21-14-10-19(11-15-21)25(3,4)5/h8-15,17H,6-7,16H2,1-5H3,(H2,26,27,28,32)