(E)-2-ethanoyl-3-(methylamino)-N-phenyl-but-2-enethioamide

Systemtic Name: (E)-2-ethanoyl-3-(methylamino)-N-phenyl-but-2-enethioamide Openeye Name: (E)-2-acetyl-3-(methylamino)-N-phenyl-but-2-enethioamide CAS Name: (E)-2-acetyl-3-(methylamino)-N-phenyl-2-butenethioamide IUPAC Name: (E)-2-acetyl-3-(methylamino)-N-phenylbut-2-enethioamide Traditional Name: (E)-2-acetyl-3-(methylamino)-N-phenyl-but-2-enethioamide Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C(/C(=O)C)\C(=S)NC1=CC=CC=C1)/NC

InChI

InChI=1S/C13H16N2OS/c1-9(14-3)12(10(2)16)13(17)15-11-7-5-4-6-8-11/h4-8,14H,1-3H3,(H,15,17)/b12-9+