propyl 3-[2-(2,5-dimethylphenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: propyl 3-[2-(2,5-dimethylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: propyl 3-[[2-(2,5-dimethylphenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 3-[[[[2-(2,5-dimethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 3-[[2-(2,5-dimethylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 3-[[2-(2,5-dimethylphenoxy)acetyl]thiocarbamoylamino]benzoic acid propyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-4-10-26-20(25)16-6-5-7-17(12-16)22-21(28)23-19(24)13-27-18-11-14(2)8-9-15(18)3/h5-9,11-12H,4,10,13H2,1-3H3,(H2,22,23,24,28)