N-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidine-1-carbothioamide

Systemtic Name: N-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidine-1-carbothioamide Openeye Name: N-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidine-1-carbothioamide CAS Name: N-[[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]methyl]-1-piperidinecarbothioamide IUPAC Name: N-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-1-carbothioamide Traditional Name: N-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidine-1-carbothioamide Formula: C22H23BrN4S MolecularWeight: 455.41382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=S)NCC2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=S)NCC2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H23BrN4S/c23-19-11-9-17(10-12-19)21-18(15-24-22(28)26-13-5-2-6-14-26)16-27(25-21)20-7-3-1-4-8-20/h1,3-4,7-12,16H,2,5-6,13-15H2,(H,24,28)