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

Systemtic Name: pentyl 4-[2-(2-propan-2-ylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: pentyl 4-[[2-(2-isopropylphenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[1-oxo-2-(2-propan-2-ylphenoxy)ethyl]amino]-sulfanylidenemethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[[2-(2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(2-isopropylphenoxy)acetyl]thiocarbamoylamino]benzoic acid amyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O4S/c1-4-5-8-15-29-23(28)18-11-13-19(14-12-18)25-24(31)26-22(27)16-30-21-10-7-6-9-20(21)17(2)3/h6-7,9-14,17H,4-5,8,15-16H2,1-3H3,(H2,25,26,27,31)