N-(4-bromophenyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-bromophenyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(4-bromophenyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(4-bromophenyl)-4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-bromophenyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-bromophenyl)-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C17H22BrN5S MolecularWeight: 408.35908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CCN(CC2)C(=S)NC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=NN(C=C1CN2CCN(CC2)C(=S)NC3=CC=C(C=C3)Br)C

InChI

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