N-(1,3-benzodioxol-5-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine-1-carbothioamide Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CN2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=NN1C)C)CN2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H25N5O2S/c1-13-16(14(2)22(3)21-13)11-23-6-8-24(9-7-23)19(27)20-15-4-5-17-18(10-15)26-12-25-17/h4-5,10H,6-9,11-12H2,1-3H3,(H,20,27)