3-methyl-4-[[(Z)-1-pyridin-2-ylethylideneamino]carbamothioylamino]benzoic acid

Systemtic Name: 3-methyl-4-[[(Z)-1-pyridin-2-ylethylideneamino]carbamothioylamino]benzoic acid Openeye Name: 3-methyl-4-[[(Z)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]benzoic acid CAS Name: 3-methyl-4-[[[(2Z)-2-[1-(2-pyridinyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[(Z)-1-pyridin-2-ylethylideneamino]carbamothioylamino]benzoic acid Traditional Name: 3-methyl-4-[[(Z)-1-(2-pyridyl)ethylideneamino]thiocarbamoylamino]benzoic acid Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=S)NN=C(C)C2=CC=CC=N2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=S)N/N=C(/C)\C2=CC=CC=N2

InChI

InChI=1S/C16H16N4O2S/c1-10-9-12(15(21)22)6-7-13(10)18-16(23)20-19-11(2)14-5-3-4-8-17-14/h3-9H,1-2H3,(H,21,22)(H2,18,20,23)/b19-11-