(E)-N'-(3-sulfanylpropyl)but-2-enediamide

Systemtic Name: (E)-N'-(3-sulfanylpropyl)but-2-enediamide Openeye Name: (E)-N'-(3-sulfanylpropyl)but-2-enediamide CAS Name: (E)-N'-(3-mercaptopropyl)-2-butenediamide IUPAC Name: (E)-N'-(3-sulfanylpropyl)but-2-enediamide Traditional Name: (E)-N'-(3-mercaptopropyl)but-2-enediamide Formula: C7H12N2O2S MolecularWeight: 188.24738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CNC(=O)C=CC(=O)N)CS

Isomeric SMILES

C(CNC(=O)/C=C/C(=O)N)CS

InChI

InChI=1S/C7H12N2O2S/c8-6(10)2-3-7(11)9-4-1-5-12/h2-3,12H,1,4-5H2,(H2,8,10)(H,9,11)/b3-2+