methyl 3-(prop-2-enylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 3-(prop-2-enylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 3-(allylcarbamothioylcarbamoyl)benzoate CAS Name: 3-[oxo-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(prop-2-enylcarbamothioylcarbamoyl)benzoate Traditional Name: 3-(allylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NCC=C

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NCC=C

InChI

InChI=1S/C13H14N2O3S/c1-3-7-14-13(19)15-11(16)9-5-4-6-10(8-9)12(17)18-2/h3-6,8H,1,7H2,2H3,(H2,14,15,16,19)