pentyl 4-(4-phenoxybutanoylcarbamothioylamino)benzoate

Systemtic Name: pentyl 4-(4-phenoxybutanoylcarbamothioylamino)benzoate Openeye Name: pentyl 4-(4-phenoxybutanoylcarbamothioylamino)benzoate CAS Name: 4-[[[(1-oxo-4-phenoxybutyl)amino]-sulfanylidenemethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-(4-phenoxybutanoylcarbamothioylamino)benzoate Traditional Name: 4-(4-phenoxybutanoylthiocarbamoylamino)benzoic acid amyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-2-3-7-16-29-22(27)18-12-14-19(15-13-18)24-23(30)25-21(26)11-8-17-28-20-9-5-4-6-10-20/h4-6,9-10,12-15H,2-3,7-8,11,16-17H2,1H3,(H2,24,25,26,30)