ethyl 4-[(2,6-diethylphenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(2,6-diethylphenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(2,6-diethylphenyl)carbamothioylamino]benzoate CAS Name: 4-[[(2,6-diethylanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2,6-diethylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(2,6-diethylphenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C20H24N2O2S/c1-4-14-8-7-9-15(5-2)18(14)22-20(25)21-17-12-10-16(11-13-17)19(23)24-6-3/h7-13H,4-6H2,1-3H3,(H2,21,22,25)