3-(prop-2-enylcarbamothioylamino)benzoic acid

Systemtic Name: 3-(prop-2-enylcarbamothioylamino)benzoic acid Openeye Name: 3-(allylcarbamothioylamino)benzoic acid CAS Name: 3-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-(prop-2-enylcarbamothioylamino)benzoic acid Traditional Name: 3-(allylthiocarbamoylamino)benzoic acid Formula: C11H12N2O2S MolecularWeight: 236.29018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O2S/c1-2-6-12-11(16)13-9-5-3-4-8(7-9)10(14)15/h2-5,7H,1,6H2,(H,14,15)(H2,12,13,16)