2-[2-methoxy-4-[(E)-C-methyl-N-[(phenylmethyl)carbamothioylamino]carbonimidoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-methoxy-4-[(E)-C-methyl-N-[(phenylmethyl)carbamothioylamino]carbonimidoyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-N-(benzylcarbamothioylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenoxy]acetic acid CAS Name: 2-[2-methoxy-4-[(1E)-1-[[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazinylidene]ethyl]phenoxy]acetic acid IUPAC Name: 2-[4-[(E)-N-(benzylcarbamothioylamino)-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid Traditional Name: 2-[4-[(E)-N-(benzylthiocarbamoylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenoxy]acetic acid Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC1=CC=CC=C1)C2=CC(=C(C=C2)OCC(=O)O)OC

Isomeric SMILES

C/C(=N\NC(=S)NCC1=CC=CC=C1)/C2=CC(=C(C=C2)OCC(=O)O)OC

InChI

InChI=1S/C19H21N3O4S/c1-13(21-22-19(27)20-11-14-6-4-3-5-7-14)15-8-9-16(17(10-15)25-2)26-12-18(23)24/h3-10H,11-12H2,1-2H3,(H,23,24)(H2,20,22,27)/b21-13+