N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[1-[(3-methylsulfanylphenyl)methyl]-4-piperidyl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[1-[[3-(methylthio)phenyl]methyl]-4-piperidinyl]-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[1-[3-(methylthio)benzyl]-4-piperidyl]pyrazol-3-yl]-piperonylamide Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)CN2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CSC1=CC=CC(=C1)CN2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H26N4O3S/c1-32-20-4-2-3-17(13-20)15-27-11-8-19(9-12-27)28-23(7-10-25-28)26-24(29)18-5-6-21-22(14-18)31-16-30-21/h2-7,10,13-14,19H,8-9,11-12,15-16H2,1H3,(H,26,29)