methyl 4-[(4-ethylphenyl)carbamothioylamino]benzoate

Systemtic Name: methyl 4-[(4-ethylphenyl)carbamothioylamino]benzoate Openeye Name: methyl 4-[(4-ethylphenyl)carbamothioylamino]benzoate CAS Name: 4-[[(4-ethylanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-ethylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-ethylphenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O2S/c1-3-12-4-8-14(9-5-12)18-17(22)19-15-10-6-13(7-11-15)16(20)21-2/h4-11H,3H2,1-2H3,(H2,18,19,22)