N-methyl-4-(phenylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-methyl-4-(phenylcarbonyl)piperazine-1-carbothioamide Openeye Name: 4-benzoyl-N-methyl-piperazine-1-carbothioamide CAS Name: 4-benzoyl-N-methyl-1-piperazinecarbothioamide IUPAC Name: 4-benzoyl-N-methylpiperazine-1-carbothioamide Traditional Name: 4-benzoyl-N-methyl-piperazine-1-carbothioamide Formula: C13H17N3OS MolecularWeight: 263.35858

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCN(CC1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CNC(=S)N1CCN(CC1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H17N3OS/c1-14-13(18)16-9-7-15(8-10-16)12(17)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,18)