N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-4-[(3-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-m-anisyl-piperazine-1-carbothioamide Formula: C21H31N5OS MolecularWeight: 401.56874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=S)N2CCN(CC2)CC3=CC(=CC=C3)OC)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=S)N2CCN(CC2)CC3=CC(=CC=C3)OC)C

InChI

InChI=1S/C21H31N5OS/c1-17-14-18(2)26(23-17)9-5-8-22-21(28)25-12-10-24(11-13-25)16-19-6-4-7-20(15-19)27-3/h4,6-7,14-15H,5,8-13,16H2,1-3H3,(H,22,28)