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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)F)C

Isomeric SMILES

CC1=NN(C=C1NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)F)C

InChI

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