hexyl 4-[2-(2-propan-2-ylphenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: hexyl 4-[2-(2-propan-2-ylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: hexyl 4-[[2-(2-isopropylphenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[1-oxo-2-(2-propan-2-ylphenoxy)ethyl]amino]-sulfanylidenemethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[[2-(2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(2-isopropylphenoxy)acetyl]thiocarbamoylamino]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)COC2=CC=CC=C2C(C)C

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=CC=CC=C2C(C)C

InChI

InChI=1S/C25H32N2O4S/c1-4-5-6-9-16-30-24(29)19-12-14-20(15-13-19)26-25(32)27-23(28)17-31-22-11-8-7-10-21(22)18(2)3/h7-8,10-15,18H,4-6,9,16-17H2,1-3H3,(H2,26,27,28,32)