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

Systemtic Name: N-[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-chloro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-chloro-4-[4-(2-thenoyl)piperazino]phenyl]-piperonylamide Formula: C23H20ClN3O4S MolecularWeight: 469.9406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20ClN3O4S/c24-17-13-16(25-22(28)15-3-6-19-20(12-15)31-14-30-19)4-5-18(17)26-7-9-27(10-8-26)23(29)21-2-1-11-32-21/h1-6,11-13H,7-10,14H2,(H,25,28)