1-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione

Systemtic Name: 1-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione Openeye Name: 1-[4-(benzofuran-2-carbonyl)piperazin-1-yl]-4-(5-methyl-2-thienyl)butane-1,4-dione CAS Name: 1-[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]-4-(5-methyl-2-thiophenyl)butane-1,4-dione IUPAC Name: 1-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione Traditional Name: 1-[4-(benzofuran-2-carbonyl)piperazino]-4-(5-methyl-2-thienyl)butane-1,4-dione Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H22N2O4S/c1-15-6-8-20(29-15)17(25)7-9-21(26)23-10-12-24(13-11-23)22(27)19-14-16-4-2-3-5-18(16)28-19/h2-6,8,14H,7,9-13H2,1H3