6-[(Z)-[(4-fluorophenyl)methylcarbamothioylhydrazinylidene]methyl]-2,3-dimethoxy-benzoic acid

Systemtic Name: 6-[(Z)-[(4-fluorophenyl)methylcarbamothioylhydrazinylidene]methyl]-2,3-dimethoxy-benzoic acid Openeye Name: 6-[(Z)-[(4-fluorophenyl)methylcarbamothioylhydrazono]methyl]-2,3-dimethoxy-benzoic acid CAS Name: 6-[(Z)-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoic acid IUPAC Name: 6-[(Z)-[(4-fluorophenyl)methylcarbamothioylhydrazinylidene]methyl]-2,3-dimethoxybenzoic acid Traditional Name: 6-[(Z)-[(4-fluorobenzyl)thiocarbamoylhydrazono]methyl]-2,3-dimethoxy-benzoic acid Formula: C18H18FN3O4S MolecularWeight: 391.416623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=NNC(=S)NCC2=CC=C(C=C2)F)C(=O)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)/C=N\NC(=S)NCC2=CC=C(C=C2)F)C(=O)O)OC

InChI

InChI=1S/C18H18FN3O4S/c1-25-14-8-5-12(15(17(23)24)16(14)26-2)10-21-22-18(27)20-9-11-3-6-13(19)7-4-11/h3-8,10H,9H2,1-2H3,(H,23,24)(H2,20,22,27)/b21-10-