ethyl 4-[(2-ethylphenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(2-ethylphenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(2-ethylphenyl)carbamothioylamino]benzoate CAS Name: 4-[[(2-ethylanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-ethylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(2-ethylphenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

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