hexyl 4-(4-phenoxybutanoylcarbamothioylamino)benzoate

Systemtic Name: hexyl 4-(4-phenoxybutanoylcarbamothioylamino)benzoate Openeye Name: hexyl 4-(4-phenoxybutanoylcarbamothioylamino)benzoate CAS Name: 4-[[[(1-oxo-4-phenoxybutyl)amino]-sulfanylidenemethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-(4-phenoxybutanoylcarbamothioylamino)benzoate Traditional Name: 4-(4-phenoxybutanoylthiocarbamoylamino)benzoic acid hexyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O4S/c1-2-3-4-8-17-30-23(28)19-13-15-20(16-14-19)25-24(31)26-22(27)12-9-18-29-21-10-6-5-7-11-21/h5-7,10-11,13-16H,2-4,8-9,12,17-18H2,1H3,(H2,25,26,27,31)