4-[[4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxy-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[(E)-(carbamothioylhydrazono)methyl]-2-methoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-methoxy-4-[(E)-(thiocarbamoylhydrazono)methyl]phenoxy]methyl]benzoic acid Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=S)N)OCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=S)N)OCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H17N3O4S/c1-23-15-8-12(9-19-20-17(18)25)4-7-14(15)24-10-11-2-5-13(6-3-11)16(21)22/h2-9H,10H2,1H3,(H,21,22)(H3,18,20,25)/b19-9+