N-(2,6-diethylphenyl)-4-ethanoyl-piperazine-1-carbothioamide

Systemtic Name: N-(2,6-diethylphenyl)-4-ethanoyl-piperazine-1-carbothioamide Openeye Name: 4-acetyl-N-(2,6-diethylphenyl)piperazine-1-carbothioamide CAS Name: 4-acetyl-N-(2,6-diethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-acetyl-N-(2,6-diethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-acetyl-N-(2,6-diethylphenyl)piperazine-1-carbothioamide Formula: C17H25N3OS MolecularWeight: 319.4649

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCN(CC2)C(=O)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCN(CC2)C(=O)C

InChI

InChI=1S/C17H25N3OS/c1-4-14-7-6-8-15(5-2)16(14)18-17(22)20-11-9-19(10-12-20)13(3)21/h6-8H,4-5,9-12H2,1-3H3,(H,18,22)