butyl 3-(4-phenoxybutanoylcarbamothioylamino)benzoate

Systemtic Name: butyl 3-(4-phenoxybutanoylcarbamothioylamino)benzoate Openeye Name: butyl 3-(4-phenoxybutanoylcarbamothioylamino)benzoate CAS Name: 3-[[[(1-oxo-4-phenoxybutyl)amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-(4-phenoxybutanoylcarbamothioylamino)benzoate Traditional Name: 3-(4-phenoxybutanoylthiocarbamoylamino)benzoic acid butyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCCOC2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)CCCOC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O4S/c1-2-3-14-28-21(26)17-9-7-10-18(16-17)23-22(29)24-20(25)13-8-15-27-19-11-5-4-6-12-19/h4-7,9-12,16H,2-3,8,13-15H2,1H3,(H2,23,24,25,29)