3-[(2-ethylphenyl)carbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(2-ethylphenyl)carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(2-ethylphenyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[(2-ethylanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(2-ethylphenyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(2-ethylphenyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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