(E)-2-ethanoyl-N-methyl-3-phenylazanyl-but-2-enethioamide

Systemtic Name: (E)-2-ethanoyl-N-methyl-3-phenylazanyl-but-2-enethioamide Openeye Name: (E)-2-acetyl-3-anilino-N-methyl-but-2-enethioamide CAS Name: (E)-2-acetyl-3-anilino-N-methyl-2-butenethioamide IUPAC Name: (E)-2-acetyl-3-anilino-N-methylbut-2-enethioamide Traditional Name: (E)-2-acetyl-3-anilino-N-methyl-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)NC)NC1=CC=CC=C1

Isomeric SMILES

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

InChI

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