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

Systemtic Name: N-(3,4-dimethoxyphenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(3,4-dimethoxyphenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(3,4-dimethoxyphenyl)-4-[(1,5-dimethyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(3,4-dimethoxyphenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(3,4-dimethoxyphenyl)-4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C19H27N5O2S MolecularWeight: 389.51498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CN2CCN(CC2)C(=S)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C=NN1C)CN2CCN(CC2)C(=S)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C19H27N5O2S/c1-14-15(12-20-22(14)2)13-23-7-9-24(10-8-23)19(27)21-16-5-6-17(25-3)18(11-16)26-4/h5-6,11-12H,7-10,13H2,1-4H3,(H,21,27)