propyl 4-[[2-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[[2-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(2-isopentyloxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[[2-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-(3-methylbutoxy)benzoyl]carbamothioylamino]benzoate Traditional Name: 4-[(2-isoamoxybenzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2OCCC(C)C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2OCCC(C)C

InChI

InChI=1S/C23H28N2O4S/c1-4-14-29-22(27)17-9-11-18(12-10-17)24-23(30)25-21(26)19-7-5-6-8-20(19)28-15-13-16(2)3/h5-12,16H,4,13-15H2,1-3H3,(H2,24,25,26,30)