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

Systemtic Name: N-[2-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[1-(3-methylsulfanylpropanoyl)-4-piperidyl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[1-[3-(methylthio)-1-oxopropyl]-4-piperidinyl]-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[1-[3-(methylthio)propanoyl]-4-piperidyl]pyrazol-3-yl]-piperonylamide Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)N1CCC(CC1)N2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSCCC(=O)N1CCC(CC1)N2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H24N4O4S/c1-29-11-7-19(25)23-9-5-15(6-10-23)24-18(4-8-21-24)22-20(26)14-2-3-16-17(12-14)28-13-27-16/h2-4,8,12,15H,5-7,9-11,13H2,1H3,(H,22,26)