2-[5-[(Z)-N-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]ethanoic acid

Systemtic Name: 2-[5-[(Z)-N-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]ethanoic acid Openeye Name: 2-[5-[(Z)-N-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]acetic acid CAS Name: 2-[5-[(1Z)-1-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]hydrazinylidene]ethyl]-2-methoxyphenyl]acetic acid IUPAC Name: 2-[5-[(Z)-N-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-C-methylcarbonimidoyl]-2-methoxyphenyl]acetic acid Traditional Name: 2-[2-methoxy-5-[(Z)-C-methyl-N-(piperonylthiocarbamoylamino)carbonimidoyl]phenyl]acetic acid Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC1=CC2=C(C=C1)OCO2)C3=CC(=C(C=C3)OC)CC(=O)O

Isomeric SMILES

C/C(=N/NC(=S)NCC1=CC2=C(C=C1)OCO2)/C3=CC(=C(C=C3)OC)CC(=O)O

InChI

InChI=1S/C20H21N3O5S/c1-12(14-4-6-16(26-2)15(8-14)9-19(24)25)22-23-20(29)21-10-13-3-5-17-18(7-13)28-11-27-17/h3-8H,9-11H2,1-2H3,(H,24,25)(H2,21,23,29)/b22-12-