ethyl 3-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamothioylamino]benzoate

Systemtic Name: ethyl 3-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[[2-(2,6-dimethylphenoxy)-1-methyl-ethyl]carbamothioylamino]benzoate CAS Name: 3-[[[1-(2,6-dimethylphenoxy)propan-2-ylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamothioylamino]benzoate Traditional Name: 3-[[2-(2,6-dimethylphenoxy)-1-methyl-ethyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-5-25-20(24)17-10-7-11-18(12-17)23-21(27)22-16(4)13-26-19-14(2)8-6-9-15(19)3/h6-12,16H,5,13H2,1-4H3,(H2,22,23,27)