ethyl 4-[(3,5-dimethylphenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(3,5-dimethylphenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(3,5-dimethylphenyl)carbamothioylamino]benzoate CAS Name: 4-[[(3,5-dimethylanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3,5-dimethylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(3,5-dimethylphenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C18H20N2O2S/c1-4-22-17(21)14-5-7-15(8-6-14)19-18(23)20-16-10-12(2)9-13(3)11-16/h5-11H,4H2,1-3H3,(H2,19,20,23)