2-[(E)-[butylcarbamothioyl(methyl)hydrazinylidene]methyl]benzoic acid

Systemtic Name: 2-[(E)-[butylcarbamothioyl(methyl)hydrazinylidene]methyl]benzoic acid Openeye Name: 2-[(E)-[butylcarbamothioyl(methyl)hydrazono]methyl]benzoic acid CAS Name: 2-[(E)-[[butylamino(sulfanylidene)methyl]-methylhydrazinylidene]methyl]benzoic acid IUPAC Name: 2-[(E)-[butylcarbamothioyl(methyl)hydrazinylidene]methyl]benzoic acid Traditional Name: 2-[(E)-[butylthiocarbamoyl(methyl)hydrazono]methyl]benzoic acid Formula: C14H19N3O2S MolecularWeight: 293.38456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(C)N=CC1=CC=CC=C1C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2S/c1-3-4-9-15-14(20)17(2)16-10-11-7-5-6-8-12(11)13(18)19/h5-8,10H,3-4,9H2,1-2H3,(H,15,20)(H,18,19)/b16-10+