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

Systemtic Name: cyclohexyl 4-[2-(2,5-dimethylphenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: cyclohexyl 4-[[2-(2,5-dimethylphenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(2,5-dimethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[[2-(2,5-dimethylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(2,5-dimethylphenoxy)acetyl]thiocarbamoylamino]benzoic acid cyclohexyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC3CCCCC3

InChI

InChI=1S/C24H28N2O4S/c1-16-8-9-17(2)21(14-16)29-15-22(27)26-24(31)25-19-12-10-18(11-13-19)23(28)30-20-6-4-3-5-7-20/h8-14,20H,3-7,15H2,1-2H3,(H2,25,26,27,31)