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

Systemtic Name: 2-[4-(butylcarbamothioylamino)phenyl]ethanoic acid Openeye Name: 2-[4-(butylcarbamothioylamino)phenyl]acetic acid CAS Name: 2-[4-[[butylamino(sulfanylidene)methyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-(butylcarbamothioylamino)phenyl]acetic acid Traditional Name: 2-[4-(butylthiocarbamoylamino)phenyl]acetic acid Formula: C13H18N2O2S MolecularWeight: 266.35922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2S/c1-2-3-8-14-13(18)15-11-6-4-10(5-7-11)9-12(16)17/h4-7H,2-3,8-9H2,1H3,(H,16,17)(H2,14,15,18)