5-methyl-2-[4-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione

Systemtic Name: 5-methyl-2-[4-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 5-methyl-2-[4-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 5-methyl-2-[4-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 5-methyl-2-[4-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-keto-4-[4-(5-nitrothiophene-2-carbonyl)piperazino]butyl]-5-methyl-isoindoline-1,3-quinone Formula: C22H22N4O6S MolecularWeight: 470.49828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)N3CCN(CC3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)N3CCN(CC3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O6S/c1-14-4-5-15-16(13-14)21(29)25(20(15)28)8-2-3-18(27)23-9-11-24(12-10-23)22(30)17-6-7-19(33-17)26(31)32/h4-7,13H,2-3,8-12H2,1H3