2-methyl-3-oxidanylidene-N-phenyl-piperazine-2-carbothioamide

Systemtic Name: 2-methyl-3-oxidanylidene-N-phenyl-piperazine-2-carbothioamide Openeye Name: 2-methyl-3-oxo-N-phenyl-piperazine-2-carbothioamide CAS Name: 2-methyl-3-oxo-N-phenyl-2-piperazinecarbothioamide IUPAC Name: 2-methyl-3-oxo-N-phenylpiperazine-2-carbothioamide Traditional Name: 3-keto-2-methyl-N-phenyl-piperazine-2-carbothioamide Formula: C12H15N3OS MolecularWeight: 249.332

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NCCN1)C(=S)NC2=CC=CC=C2

Isomeric SMILES

CC1(C(=O)NCCN1)C(=S)NC2=CC=CC=C2

InChI

InChI=1S/C12H15N3OS/c1-12(10(16)13-7-8-14-12)11(17)15-9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3,(H,13,16)(H,15,17)