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

Systemtic Name: N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-yl-propan-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[1-methyl-2-(4-phenylpiperazin-1-yl)-2-(2-thienyl)ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[1-(4-phenyl-1-piperazinyl)-1-thiophen-2-ylpropan-2-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[1-methyl-2-(4-phenylpiperazino)-2-(2-thienyl)ethyl]-piperonylamide Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)N2CCN(CC2)C3=CC=CC=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C(C1=CC=CS1)N2CCN(CC2)C3=CC=CC=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H27N3O3S/c1-18(26-25(29)19-9-10-21-22(16-19)31-17-30-21)24(23-8-5-15-32-23)28-13-11-27(12-14-28)20-6-3-2-4-7-20/h2-10,15-16,18,24H,11-14,17H2,1H3,(H,26,29)