2-acetamido-2-[4-(tert-butylsulfanylcarbamoylamino)phenyl]ethanoic acid

Systemtic Name: 2-acetamido-2-[4-(tert-butylsulfanylcarbamoylamino)phenyl]ethanoic acid Openeye Name: 2-acetamido-2-[4-(tert-butylsulfanylcarbamoylamino)phenyl]acetic acid CAS Name: 2-acetamido-2-[4-[[[(tert-butylthio)amino]-oxomethyl]amino]phenyl]acetic acid IUPAC Name: 2-acetamido-2-[4-(tert-butylsulfanylcarbamoylamino)phenyl]acetic acid Traditional Name: 2-acetamido-2-[4-[(tert-butylthio)carbamoylamino]phenyl]acetic acid Formula: C15H21N3O4S MolecularWeight: 339.40994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C1=CC=C(C=C1)NC(=O)NSC(C)(C)C)C(=O)O

Isomeric SMILES

CC(=O)NC(C1=CC=C(C=C1)NC(=O)NSC(C)(C)C)C(=O)O

InChI

InChI=1S/C15H21N3O4S/c1-9(19)16-12(13(20)21)10-5-7-11(8-6-10)17-14(22)18-23-15(2,3)4/h5-8,12H,1-4H3,(H,16,19)(H,20,21)(H2,17,18,22)