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

Systemtic Name: methyl 4-methyl-3-(prop-2-enylcarbamothioylamino)benzoate Openeye Name: methyl 3-(allylcarbamothioylamino)-4-methyl-benzoate CAS Name: 4-methyl-3-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-(prop-2-enylcarbamothioylamino)benzoate Traditional Name: 3-(allylthiocarbamoylamino)-4-methyl-benzoic acid methyl ester Formula: C13H16N2O2S MolecularWeight: 264.34334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NCC=C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NCC=C

InChI

InChI=1S/C13H16N2O2S/c1-4-7-14-13(18)15-11-8-10(12(16)17-3)6-5-9(11)2/h4-6,8H,1,7H2,2-3H3,(H2,14,15,18)