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

Systemtic Name: 2-[2-methoxy-4-[(E)-C-methyl-N-[(4-methylphenyl)carbamothioylamino]carbonimidoyl]phenoxy]ethanoic acid Openeye Name: 2-[2-methoxy-4-[(E)-C-methyl-N-(p-tolylcarbamothioylamino)carbonimidoyl]phenoxy]acetic acid CAS Name: 2-[2-methoxy-4-[(1E)-1-[[(4-methylanilino)-sulfanylidenemethyl]hydrazinylidene]ethyl]phenoxy]acetic acid IUPAC Name: 2-[2-methoxy-4-[(E)-C-methyl-N-[(4-methylphenyl)carbamothioylamino]carbonimidoyl]phenoxy]acetic acid Traditional Name: 2-[2-methoxy-4-[(E)-C-methyl-N-(p-tolylthiocarbamoylamino)carbonimidoyl]phenoxy]acetic acid Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NN=C(C)C2=CC(=C(C=C2)OCC(=O)O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N/N=C(\C)/C2=CC(=C(C=C2)OCC(=O)O)OC

InChI

InChI=1S/C19H21N3O4S/c1-12-4-7-15(8-5-12)20-19(27)22-21-13(2)14-6-9-16(17(10-14)25-3)26-11-18(23)24/h4-10H,11H2,1-3H3,(H,23,24)(H2,20,22,27)/b21-13+