4-methyl-3-(prop-2-enylcarbamothioylamino)benzoate

Systemtic Name: 4-methyl-3-(prop-2-enylcarbamothioylamino)benzoate Openeye Name: 3-(allylcarbamothioylamino)-4-methyl-benzoate CAS Name: 4-methyl-3-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-methyl-3-(prop-2-enylcarbamothioylamino)benzoate Traditional Name: 3-(allylthiocarbamoylamino)-4-methyl-benzoate Formula: C12H13N2O2S- MolecularWeight: 249.30882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=S)NCC=C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=S)NCC=C

InChI

InChI=1S/C12H14N2O2S/c1-3-6-13-12(17)14-10-7-9(11(15)16)5-4-8(10)2/h3-5,7H,1,6H2,2H3,(H,15,16)(H2,13,14,17)/p-1