2-[(E)-[(2,6-dimethylphenyl)carbamothioylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 2-[(E)-[(2,6-dimethylphenyl)carbamothioylhydrazinylidene]methyl]benzoic acid Openeye Name: 2-[(E)-[(2,6-dimethylphenyl)carbamothioylhydrazono]methyl]benzoic acid CAS Name: 2-[(E)-[[(2,6-dimethylanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 2-[(E)-[(2,6-dimethylphenyl)carbamothioylhydrazinylidene]methyl]benzoic acid Traditional Name: 2-[(E)-[(2,6-dimethylphenyl)thiocarbamoylhydrazono]methyl]benzoic acid Formula: C17H17N3O2S MolecularWeight: 327.40078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NN=CC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)N/N=C/C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H17N3O2S/c1-11-6-5-7-12(2)15(11)19-17(23)20-18-10-13-8-3-4-9-14(13)16(21)22/h3-10H,1-2H3,(H,21,22)(H2,19,20,23)/b18-10+