5-methyl-2-[4-oxidanylidene-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butyl]isoindole-1,3-dione

Systemtic Name: 5-methyl-2-[4-oxidanylidene-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butyl]isoindole-1,3-dione Openeye Name: 5-methyl-2-[4-oxo-4-[4-(2-thienylmethyl)piperazin-1-yl]butyl]isoindoline-1,3-dione CAS Name: 5-methyl-2-[4-oxo-4-[4-(thiophen-2-ylmethyl)-1-piperazinyl]butyl]isoindole-1,3-dione IUPAC Name: 5-methyl-2-[4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-keto-4-[4-(2-thenyl)piperazino]butyl]-5-methyl-isoindoline-1,3-quinone Formula: C22H25N3O3S MolecularWeight: 411.5172

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)CC4=CC=CS4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)N3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C22H25N3O3S/c1-16-6-7-18-19(14-16)22(28)25(21(18)27)8-2-5-20(26)24-11-9-23(10-12-24)15-17-4-3-13-29-17/h3-4,6-7,13-14H,2,5,8-12,15H2,1H3