2-[4-(prop-2-enylcarbamothioylamino)phenyl]ethanoic acid

Systemtic Name: 2-[4-(prop-2-enylcarbamothioylamino)phenyl]ethanoic acid Openeye Name: 2-[4-(allylcarbamothioylamino)phenyl]acetic acid CAS Name: 2-[4-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-(prop-2-enylcarbamothioylamino)phenyl]acetic acid Traditional Name: 2-[4-(allylthiocarbamoylamino)phenyl]acetic acid Formula: C12H14N2O2S MolecularWeight: 250.31676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NC1=CC=C(C=C1)CC(=O)O

Isomeric SMILES

C=CCNC(=S)NC1=CC=C(C=C1)CC(=O)O

InChI

InChI=1S/C12H14N2O2S/c1-2-7-13-12(17)14-10-5-3-9(4-6-10)8-11(15)16/h2-6H,1,7-8H2,(H,15,16)(H2,13,14,17)