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

Systemtic Name: hexyl 4-[4-(4-chloranylphenoxy)butanoylcarbamothioylamino]benzoate Openeye Name: hexyl 4-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]benzoate CAS Name: 4-[[[[4-(4-chlorophenoxy)-1-oxobutyl]amino]-sulfanylidenemethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[4-(4-chlorophenoxy)butanoylcarbamothioylamino]benzoate Traditional Name: 4-[4-(4-chlorophenoxy)butanoylthiocarbamoylamino]benzoic acid hexyl ester Formula: C24H29ClN2O4S MolecularWeight: 477.01606

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClN2O4S/c1-2-3-4-5-16-31-23(29)18-8-12-20(13-9-18)26-24(32)27-22(28)7-6-17-30-21-14-10-19(25)11-15-21/h8-15H,2-7,16-17H2,1H3,(H2,26,27,28,32)