N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: 4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-homoveratryl-piperazine-1-carbothioamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CCN(CC2)C(=S)NCCC3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CC1=NN(C=C1CN2CCN(CC2)C(=S)NCCC3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C21H31N5O2S/c1-16-18(14-24(2)23-16)15-25-9-11-26(12-10-25)21(29)22-8-7-17-5-6-19(27-3)20(13-17)28-4/h5-6,13-14H,7-12,15H2,1-4H3,(H,22,29)