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

Systemtic Name: 4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-naphthalen-1-yl-piperazine-1-carbothioamide Openeye Name: 4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(1-naphthyl)piperazine-1-carbothioamide CAS Name: 4-[(1,5-dimethyl-4-pyrazolyl)methyl]-N-(1-naphthalenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-naphthalen-1-ylpiperazine-1-carbothioamide Traditional Name: 4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(1-naphthyl)piperazine-1-carbothioamide Formula: C21H25N5S MolecularWeight: 379.5217

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CN2CCN(CC2)C(=S)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(C=NN1C)CN2CCN(CC2)C(=S)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H25N5S/c1-16-18(14-22-24(16)2)15-25-10-12-26(13-11-25)21(27)23-20-9-5-7-17-6-3-4-8-19(17)20/h3-9,14H,10-13,15H2,1-2H3,(H,23,27)