N-(1,3-benzodioxol-5-ylmethyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-benzothiophene-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]benzothiophene-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(2,5-dimethyl-3-pyrazolyl)methyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-piperonyl-benzothiophene-2-carboxamide Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=CC=CC=C5S4)C

Isomeric SMILES

CC1=NN(C(=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=CC=CC=C5S4)C

InChI

InChI=1S/C23H21N3O3S/c1-15-9-18(25(2)24-15)13-26(12-16-7-8-19-20(10-16)29-14-28-19)23(27)22-11-17-5-3-4-6-21(17)30-22/h3-11H,12-14H2,1-2H3