N-(3-ethanoylphenyl)pyrrolidine-1-carbothioamide

Systemtic Name: N-(3-ethanoylphenyl)pyrrolidine-1-carbothioamide Openeye Name: N-(3-acetylphenyl)pyrrolidine-1-carbothioamide CAS Name: N-(3-acetylphenyl)-1-pyrrolidinecarbothioamide IUPAC Name: N-(3-acetylphenyl)pyrrolidine-1-carbothioamide Traditional Name: N-(3-acetylphenyl)pyrrolidine-1-carbothioamide Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)N2CCCC2

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)N2CCCC2

InChI

InChI=1S/C13H16N2OS/c1-10(16)11-5-4-6-12(9-11)14-13(17)15-7-2-3-8-15/h4-6,9H,2-3,7-8H2,1H3,(H,14,17)