3-(4-bromophenyl)-1-phenyl-N-piperidin-1-ylcarbothioyl-pyrazole-4-carboxamide

Systemtic Name: 3-(4-bromophenyl)-1-phenyl-N-piperidin-1-ylcarbothioyl-pyrazole-4-carboxamide Openeye Name: 3-(4-bromophenyl)-1-phenyl-N-(piperidine-1-carbothioyl)pyrazole-4-carboxamide CAS Name: 3-(4-bromophenyl)-1-phenyl-N-[1-piperidinyl(sulfanylidene)methyl]-4-pyrazolecarboxamide IUPAC Name: 3-(4-bromophenyl)-1-phenyl-N-(piperidine-1-carbothioyl)pyrazole-4-carboxamide Traditional Name: 3-(4-bromophenyl)-1-phenyl-N-(piperidine-1-carbothioyl)pyrazole-4-carboxamide Formula: C22H21BrN4OS MolecularWeight: 469.39734

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=S)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=S)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H21BrN4OS/c23-17-11-9-16(10-12-17)20-19(15-27(25-20)18-7-3-1-4-8-18)21(28)24-22(29)26-13-5-2-6-14-26/h1,3-4,7-12,15H,2,5-6,13-14H2,(H,24,28,29)