4-(2-methylphenyl)carbonylpiperazine-1-carbothioamide

Systemtic Name: 4-(2-methylphenyl)carbonylpiperazine-1-carbothioamide Openeye Name: 4-(2-methylbenzoyl)piperazine-1-carbothioamide CAS Name: 4-[(2-methylphenyl)-oxomethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2-methylbenzoyl)piperazine-1-carbothioamide Traditional Name: 4-o-toluoylpiperazine-1-carbothioamide Formula: C13H17N3OS MolecularWeight: 263.35858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C(=S)N

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C(=S)N

InChI

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