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

Systemtic Name: 4-azanyl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 4-amino-2-[[4-(3-thienylmethyl)piperazin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 4-amino-2-[[4-(3-thiophenylmethyl)-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 4-amino-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 4-amino-2-[[4-(3-thenyl)piperazino]methyl]isoindoline-1,3-quinone Formula: C18H20N4O2S MolecularWeight: 356.442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)CN3C(=O)C4=C(C3=O)C(=CC=C4)N

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)CN3C(=O)C4=C(C3=O)C(=CC=C4)N

InChI

InChI=1S/C18H20N4O2S/c19-15-3-1-2-14-16(15)18(24)22(17(14)23)12-21-7-5-20(6-8-21)10-13-4-9-25-11-13/h1-4,9,11H,5-8,10,12,19H2