methyl 4-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamothioylamino]benzoate Openeye Name: methyl 4-[[2-(2,6-dimethylphenoxy)-1-methyl-ethyl]carbamothioylamino]benzoate CAS Name: 4-[[[1-(2,6-dimethylphenoxy)propan-2-ylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamothioylamino]benzoate Traditional Name: 4-[[2-(2,6-dimethylphenoxy)-1-methyl-ethyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3S/c1-13-6-5-7-14(2)18(13)25-12-15(3)21-20(26)22-17-10-8-16(9-11-17)19(23)24-4/h5-11,15H,12H2,1-4H3,(H2,21,22,26)