6-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]-2,3-dimethoxy-benzoic acid

Systemtic Name: 6-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]-2,3-dimethoxy-benzoic acid Openeye Name: 6-[(E)-(cyclohexylcarbamothioylhydrazono)methyl]-2,3-dimethoxy-benzoic acid CAS Name: 6-[(E)-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoic acid IUPAC Name: 6-[(E)-(cyclohexylcarbamothioylhydrazinylidene)methyl]-2,3-dimethoxybenzoic acid Traditional Name: 6-[(E)-(cyclohexylthiocarbamoylhydrazono)methyl]-2,3-dimethoxy-benzoic acid Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=NNC(=S)NC2CCCCC2)C(=O)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)/C=N/NC(=S)NC2CCCCC2)C(=O)O)OC

InChI

InChI=1S/C17H23N3O4S/c1-23-13-9-8-11(14(16(21)22)15(13)24-2)10-18-20-17(25)19-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,21,22)(H2,19,20,25)/b18-10+