3-[[1-(4-methylphenyl)ethenylamino]carbamothioylamino]benzoate

Systemtic Name: 3-[[1-(4-methylphenyl)ethenylamino]carbamothioylamino]benzoate Openeye Name: 3-[[1-(p-tolyl)vinylamino]carbamothioylamino]benzoate CAS Name: 3-[[[1-(4-methylphenyl)ethenylhydrazo]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 3-[[1-(4-methylphenyl)ethenylamino]carbamothioylamino]benzoate Traditional Name: 3-[[1-(p-tolyl)vinylamino]thiocarbamoylamino]benzoate Formula: C17H16N3O2S- MolecularWeight: 326.39284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C)NNC(=S)NC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=C)NNC(=S)NC2=CC=CC(=C2)C(=O)[O-]

InChI

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