2-methylpropyl 4-(4-phenoxybutanoylcarbamothioylamino)benzoate

Systemtic Name: 2-methylpropyl 4-(4-phenoxybutanoylcarbamothioylamino)benzoate Openeye Name: isobutyl 4-(4-phenoxybutanoylcarbamothioylamino)benzoate CAS Name: 4-[[[(1-oxo-4-phenoxybutyl)amino]-sulfanylidenemethyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(4-phenoxybutanoylcarbamothioylamino)benzoate Traditional Name: 4-(4-phenoxybutanoylthiocarbamoylamino)benzoic acid isobutyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-16(2)15-28-21(26)17-10-12-18(13-11-17)23-22(29)24-20(25)9-6-14-27-19-7-4-3-5-8-19/h3-5,7-8,10-13,16H,6,9,14-15H2,1-2H3,(H2,23,24,25,29)