4-[[(2,4-dimethoxyphenyl)carbamothioylamino]methyl]benzoic acid

Systemtic Name: 4-[[(2,4-dimethoxyphenyl)carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[(2,4-dimethoxyphenyl)carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[(2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(2,4-dimethoxyphenyl)carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[(2,4-dimethoxyphenyl)thiocarbamoylamino]methyl]benzoic acid Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C(=O)O)OC

InChI

InChI=1S/C17H18N2O4S/c1-22-13-7-8-14(15(9-13)23-2)19-17(24)18-10-11-3-5-12(6-4-11)16(20)21/h3-9H,10H2,1-2H3,(H,20,21)(H2,18,19,24)