5-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]carbonyl-2-methyl-isoindole-1,3-dione

Systemtic Name: 5-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]carbonyl-2-methyl-isoindole-1,3-dione Openeye Name: 5-[4-(benzothiophen-3-ylmethyl)piperazine-1-carbonyl]-2-methyl-isoindoline-1,3-dione CAS Name: 5-[[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-oxomethyl]-2-methylisoindole-1,3-dione IUPAC Name: 5-[4-(1-benzothiophen-3-ylmethyl)piperazine-1-carbonyl]-2-methylisoindole-1,3-dione Traditional Name: 5-[4-(benzothiophen-3-ylmethyl)piperazine-1-carbonyl]-2-methyl-isoindoline-1,3-quinone Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CC4=CSC5=CC=CC=C54

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CC4=CSC5=CC=CC=C54

InChI

InChI=1S/C23H21N3O3S/c1-24-22(28)18-7-6-15(12-19(18)23(24)29)21(27)26-10-8-25(9-11-26)13-16-14-30-20-5-3-2-4-17(16)20/h2-7,12,14H,8-11,13H2,1H3