2-[4-(propylcarbamothioylamino)phenyl]ethanoic acid

Systemtic Name: 2-[4-(propylcarbamothioylamino)phenyl]ethanoic acid Openeye Name: 2-[4-(propylcarbamothioylamino)phenyl]acetic acid CAS Name: 2-[4-[[propylamino(sulfanylidene)methyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-(propylcarbamothioylamino)phenyl]acetic acid Traditional Name: 2-[4-(propylthiocarbamoylamino)phenyl]acetic acid Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O2S/c1-2-7-13-12(17)14-10-5-3-9(4-6-10)8-11(15)16/h3-6H,2,7-8H2,1H3,(H,15,16)(H2,13,14,17)