2-[3-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]-2-oxidanyl-ethanamide

Systemtic Name: 2-[3-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]-2-oxidanyl-ethanamide Openeye Name: 2-[3-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]-2-hydroxy-acetamide CAS Name: 2-[3-[[(1-cyclohexa-1,5-dienylamino)-sulfanylidenemethyl]amino]phenyl]-2-hydroxyacetamide IUPAC Name: 2-[3-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]-2-hydroxyacetamide Traditional Name: 2-[3-(cyclohexa-1,5-dien-1-ylthiocarbamoylamino)phenyl]-2-hydroxy-acetamide Formula: C15H17N3O2S MolecularWeight: 303.37938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(C(=O)N)O

Isomeric SMILES

C1CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(C(=O)N)O

InChI

InChI=1S/C15H17N3O2S/c16-14(20)13(19)10-5-4-8-12(9-10)18-15(21)17-11-6-2-1-3-7-11/h2,4-9,13,19H,1,3H2,(H2,16,20)(H2,17,18,21)