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

Systemtic Name: N-(4-butylphenyl)-4-(phenylcarbonyl)piperazine-1-carbothioamide Openeye Name: 4-benzoyl-N-(4-butylphenyl)piperazine-1-carbothioamide CAS Name: 4-benzoyl-N-(4-butylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzoyl-N-(4-butylphenyl)piperazine-1-carbothioamide Traditional Name: 4-benzoyl-N-(4-butylphenyl)piperazine-1-carbothioamide Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3OS/c1-2-3-7-18-10-12-20(13-11-18)23-22(27)25-16-14-24(15-17-25)21(26)19-8-5-4-6-9-19/h4-6,8-13H,2-3,7,14-17H2,1H3,(H,23,27)