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

Systemtic Name: N-[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[4-(2-thenoyl)piperazino]phenyl]-piperonylamide Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O4S/c27-22(16-3-8-19-20(14-16)30-15-29-19)24-17-4-6-18(7-5-17)25-9-11-26(12-10-25)23(28)21-2-1-13-31-21/h1-8,13-14H,9-12,15H2,(H,24,27)