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

Systemtic Name: N-butyl-4-(phenylcarbonyl)piperazine-1-carbothioamide Openeye Name: 4-benzoyl-N-butyl-piperazine-1-carbothioamide CAS Name: 4-benzoyl-N-butyl-1-piperazinecarbothioamide IUPAC Name: 4-benzoyl-N-butylpiperazine-1-carbothioamide Traditional Name: 4-benzoyl-N-butyl-piperazine-1-carbothioamide Formula: C16H23N3OS MolecularWeight: 305.43832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3OS/c1-2-3-9-17-16(21)19-12-10-18(11-13-19)15(20)14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3,(H,17,21)