4-[[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole

Systemtic Name: 4-[[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole Openeye Name: 4-[[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]methyl]-2-(3-thienyl)thiazole CAS Name: 4-[[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]methyl]-2-(3-thiophenyl)thiazole IUPAC Name: 4-[[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole Traditional Name: 4-[[4-(8-nitro-5-isoquinolyl)piperazino]methyl]-2-(3-thienyl)thiazole Formula: C21H19N5O2S2 MolecularWeight: 437.53786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC(=N2)C3=CSC=C3)C4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CSC(=N2)C3=CSC=C3)C4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O2S2/c27-26(28)20-2-1-19(17-3-5-22-11-18(17)20)25-8-6-24(7-9-25)12-16-14-30-21(23-16)15-4-10-29-13-15/h1-5,10-11,13-14H,6-9,12H2