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

Systemtic Name: pentyl 4-[2-(2,5-dimethylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: pentyl 4-[[2-(2,5-dimethylphenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(2,5-dimethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[[2-(2,5-dimethylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(2,5-dimethylphenoxy)acetyl]thiocarbamoylamino]benzoic acid amyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-4-5-6-13-28-22(27)18-9-11-19(12-10-18)24-23(30)25-21(26)15-29-20-14-16(2)7-8-17(20)3/h7-12,14H,4-6,13,15H2,1-3H3,(H2,24,25,26,30)