N-[6-(4-thiophen-2-ylcarbonylpiperazin-1-yl)pyridin-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[6-(4-thiophen-2-ylcarbonylpiperazin-1-yl)pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[6-[4-(thiophene-2-carbonyl)piperazin-1-yl]-3-pyridyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[6-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[6-[4-(2-thenoyl)piperazino]-3-pyridyl]-piperonylamide Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CS5

InChI

InChI=1S/C22H20N4O4S/c27-21(15-3-5-17-18(12-15)30-14-29-17)24-16-4-6-20(23-13-16)25-7-9-26(10-8-25)22(28)19-2-1-11-31-19/h1-6,11-13H,7-10,14H2,(H,24,27)