2-methylpropyl 4-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate

Systemtic Name: 2-methylpropyl 4-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate Openeye Name: isobutyl 4-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 4-[[[[4-(4-methylphenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 4-[4-(4-methylphenoxy)butanoylthiocarbamoylamino]benzoic acid isobutyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC(C)C

InChI

InChI=1S/C23H28N2O4S/c1-16(2)15-29-22(27)18-8-10-19(11-9-18)24-23(30)25-21(26)5-4-14-28-20-12-6-17(3)7-13-20/h6-13,16H,4-5,14-15H2,1-3H3,(H2,24,25,26,30)