N-(4-butylphenyl)-4-ethanoyl-piperazine-1-carbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C

InChI

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