hexyl 4-[2-(2,5-dimethylphenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: hexyl 4-[2-(2,5-dimethylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: hexyl 4-[[2-(2,5-dimethylphenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(2,5-dimethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[[2-(2,5-dimethylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(2,5-dimethylphenoxy)acetyl]thiocarbamoylamino]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)COC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C24H30N2O4S/c1-4-5-6-7-14-29-23(28)19-10-12-20(13-11-19)25-24(31)26-22(27)16-30-21-15-17(2)8-9-18(21)3/h8-13,15H,4-7,14,16H2,1-3H3,(H2,25,26,27,31)