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

Systemtic Name: 2-[4-[(Z)-N-[(3,4-dimethoxyphenyl)carbamothioylamino]-C-ethyl-carbonimidoyl]phenoxy]ethanoate Openeye Name: 2-[4-[(Z)-N-[(3,4-dimethoxyphenyl)carbamothioylamino]-C-ethyl-carbonimidoyl]phenoxy]acetate CAS Name: 2-[4-[(1Z)-1-[[(3,4-dimethoxyanilino)-sulfanylidenemethyl]hydrazinylidene]propyl]phenoxy]acetate IUPAC Name: 2-[4-[(Z)-N-[(3,4-dimethoxyphenyl)carbamothioylamino]-C-ethylcarbonimidoyl]phenoxy]acetate Traditional Name: 2-[4-[(Z)-N-[(3,4-dimethoxyphenyl)thiocarbamoylamino]-C-ethyl-carbonimidoyl]phenoxy]acetate Formula: C20H22N3O5S- MolecularWeight: 416.47078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-4-16(13-5-8-15(9-6-13)28-12-19(24)25)22-23-20(29)21-14-7-10-17(26-2)18(11-14)27-3/h5-11H,4,12H2,1-3H3,(H,24,25)(H2,21,23,29)/p-1/b22-16-