hexyl 4-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate

Systemtic Name: hexyl 4-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate Openeye Name: hexyl 4-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 4-[[[[4-(4-methylphenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[4-(4-methylphenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 4-[4-(4-methylphenoxy)butanoylthiocarbamoylamino]benzoic acid hexyl ester Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4S/c1-3-4-5-6-17-31-24(29)20-11-13-21(14-12-20)26-25(32)27-23(28)8-7-18-30-22-15-9-19(2)10-16-22/h9-16H,3-8,17-18H2,1-2H3,(H2,26,27,28,32)