2-[3-[(Z)-N-[(3,4-dimethoxyphenyl)carbamothioylamino]-C-methyl-carbonimidoyl]phenoxy]ethanoate

Systemtic Name: 2-[3-[(Z)-N-[(3,4-dimethoxyphenyl)carbamothioylamino]-C-methyl-carbonimidoyl]phenoxy]ethanoate Openeye Name: 2-[3-[(Z)-N-[(3,4-dimethoxyphenyl)carbamothioylamino]-C-methyl-carbonimidoyl]phenoxy]acetate CAS Name: 2-[3-[(1Z)-1-[[(3,4-dimethoxyanilino)-sulfanylidenemethyl]hydrazinylidene]ethyl]phenoxy]acetate IUPAC Name: 2-[3-[(Z)-N-[(3,4-dimethoxyphenyl)carbamothioylamino]-C-methylcarbonimidoyl]phenoxy]acetate Traditional Name: 2-[3-[(Z)-N-[(3,4-dimethoxyphenyl)thiocarbamoylamino]-C-methyl-carbonimidoyl]phenoxy]acetate Formula: C19H20N3O5S- MolecularWeight: 402.4442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC1=CC(=C(C=C1)OC)OC)C2=CC(=CC=C2)OCC(=O)[O-]

Isomeric SMILES

C/C(=N/NC(=S)NC1=CC(=C(C=C1)OC)OC)/C2=CC(=CC=C2)OCC(=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-12(13-5-4-6-15(9-13)27-11-18(23)24)21-22-19(28)20-14-7-8-16(25-2)17(10-14)26-3/h4-10H,11H2,1-3H3,(H,23,24)(H2,20,22,28)/p-1/b21-12-