2-[4-[(3,4-dimethoxyphenyl)carbamothioylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(3,4-dimethoxyphenyl)carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[(3,4-dimethoxyphenyl)carbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[(3,4-dimethoxyanilino)-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(3,4-dimethoxyphenyl)carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-[(3,4-dimethoxyphenyl)thiocarbamoylamino]phenyl]acetic acid Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)CC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)CC(=O)O)OC

InChI

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