2-[(E)-(dodecylcarbamothioylhydrazinylidene)methyl]benzoic acid

Systemtic Name: 2-[(E)-(dodecylcarbamothioylhydrazinylidene)methyl]benzoic acid Openeye Name: 2-[(E)-(dodecylcarbamothioylhydrazono)methyl]benzoic acid CAS Name: 2-[(E)-[[(dodecylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 2-[(E)-(dodecylcarbamothioylhydrazinylidene)methyl]benzoic acid Traditional Name: 2-[(E)-(laurylthiocarbamoylhydrazono)methyl]benzoic acid Formula: C21H33N3O2S MolecularWeight: 391.57062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=S)NN=CC1=CC=CC=C1C(=O)O

Isomeric SMILES

CCCCCCCCCCCCNC(=S)N/N=C/C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C21H33N3O2S/c1-2-3-4-5-6-7-8-9-10-13-16-22-21(27)24-23-17-18-14-11-12-15-19(18)20(25)26/h11-12,14-15,17H,2-10,13,16H2,1H3,(H,25,26)(H2,22,24,27)/b23-17+