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

Systemtic Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(3-fluorophenyl)piperazine-1-carbothioamide Openeye Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(3-fluorophenyl)piperazine-1-carbothioamide CAS Name: 4-[(1,3-dimethyl-4-pyrazolyl)methyl]-N-(3-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(3-fluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(3-fluorophenyl)piperazine-1-carbothioamide Formula: C17H22FN5S MolecularWeight: 347.453483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22FN5S/c1-13-14(11-21(2)20-13)12-22-6-8-23(9-7-22)17(24)19-16-5-3-4-15(18)10-16/h3-5,10-11H,6-9,12H2,1-2H3,(H,19,24)