4-[[(2-ethylphenyl)carbamothioylamino]methyl]benzoic acid

Systemtic Name: 4-[[(2-ethylphenyl)carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[(2-ethylphenyl)carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[(2-ethylanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(2-ethylphenyl)carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[(2-ethylphenyl)thiocarbamoylamino]methyl]benzoic acid Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H18N2O2S/c1-2-13-5-3-4-6-15(13)19-17(22)18-11-12-7-9-14(10-8-12)16(20)21/h3-10H,2,11H2,1H3,(H,20,21)(H2,18,19,22)