2-[4-[(E)-N-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(E)-N-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-N-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenoxy]acetic acid CAS Name: 2-[4-[(1E)-1-[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]hydrazinylidene]ethyl]-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-[(E)-N-[(2-ethyl-6-methylphenyl)carbamothioylamino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid Traditional Name: 2-[4-[(E)-N-[(2-ethyl-6-methyl-phenyl)thiocarbamoylamino]-C-methyl-carbonimidoyl]-2-methoxy-phenoxy]acetic acid Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NN=C(C)C2=CC(=C(C=C2)OCC(=O)O)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)N/N=C(\C)/C2=CC(=C(C=C2)OCC(=O)O)OC)C

InChI

InChI=1S/C21H25N3O4S/c1-5-15-8-6-7-13(2)20(15)22-21(29)24-23-14(3)16-9-10-17(18(11-16)27-4)28-12-19(25)26/h6-11H,5,12H2,1-4H3,(H,25,26)(H2,22,24,29)/b23-14+