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

Systemtic Name: methyl 4-methoxy-3-(prop-2-enylcarbamothioylamino)benzoate Openeye Name: methyl 3-(allylcarbamothioylamino)-4-methoxy-benzoate CAS Name: 4-methoxy-3-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methoxy-3-(prop-2-enylcarbamothioylamino)benzoate Traditional Name: 3-(allylthiocarbamoylamino)-4-methoxy-benzoic acid methyl ester Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC)NC(=S)NCC=C

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC)NC(=S)NCC=C

InChI

InChI=1S/C13H16N2O3S/c1-4-7-14-13(19)15-10-8-9(12(16)18-3)5-6-11(10)17-2/h4-6,8H,1,7H2,2-3H3,(H2,14,15,19)