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

Systemtic Name: 2-[4-[(E)-N-(butylcarbamothioylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-N-(butylcarbamothioylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenoxy]acetic acid CAS Name: 2-[4-[(1E)-1-[[butylamino(sulfanylidene)methyl]hydrazinylidene]ethyl]-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-[(E)-N-(butylcarbamothioylamino)-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid Traditional Name: 2-[4-[(E)-N-(butylthiocarbamoylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenoxy]acetic acid Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=C(C)C1=CC(=C(C=C1)OCC(=O)O)OC

Isomeric SMILES

CCCCNC(=S)N/N=C(\C)/C1=CC(=C(C=C1)OCC(=O)O)OC

InChI

InChI=1S/C16H23N3O4S/c1-4-5-8-17-16(24)19-18-11(2)12-6-7-13(14(9-12)22-3)23-10-15(20)21/h6-7,9H,4-5,8,10H2,1-3H3,(H,20,21)(H2,17,19,24)/b18-11+