N-(4-bromophenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-bromophenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(4-bromophenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(4-bromophenyl)-4-[(1,5-dimethyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-bromophenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-bromophenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C17H22BrN5S MolecularWeight: 408.35908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CN2CCN(CC2)C(=S)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C=NN1C)CN2CCN(CC2)C(=S)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H22BrN5S/c1-13-14(11-19-21(13)2)12-22-7-9-23(10-8-22)17(24)20-16-5-3-15(18)4-6-16/h3-6,11H,7-10,12H2,1-2H3,(H,20,24)