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

Systemtic Name: 4-bromanyl-1-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]indole-2,3-dione Openeye Name: 4-bromo-1-[[4-(2-thienylmethyl)piperazin-1-yl]methyl]indoline-2,3-dione CAS Name: 4-bromo-1-[[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]indole-2,3-dione IUPAC Name: 4-bromo-1-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]indole-2,3-dione Traditional Name: 4-bromo-1-[[4-(2-thenyl)piperazino]methyl]isatin Formula: C18H18BrN3O2S MolecularWeight: 420.32342

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)CN3C4=C(C(=CC=C4)Br)C(=O)C3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)CN3C4=C(C(=CC=C4)Br)C(=O)C3=O

InChI

InChI=1S/C18H18BrN3O2S/c19-14-4-1-5-15-16(14)17(23)18(24)22(15)12-21-8-6-20(7-9-21)11-13-3-2-10-25-13/h1-5,10H,6-9,11-12H2