butyl 4-(4-phenoxybutanoylcarbamothioylamino)benzoate

Systemtic Name: butyl 4-(4-phenoxybutanoylcarbamothioylamino)benzoate Openeye Name: butyl 4-(4-phenoxybutanoylcarbamothioylamino)benzoate CAS Name: 4-[[[(1-oxo-4-phenoxybutyl)amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-(4-phenoxybutanoylcarbamothioylamino)benzoate Traditional Name: 4-(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=C(C=C1)NC(=S)NC(=O)CCCOC2=CC=CC=C2

Isomeric SMILES

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

InChI

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