2-(1,3-benzodioxol-5-yl)-4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-thiazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]thiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]thiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,3-thiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(4-nitrophenyl)piperazino]methyl]thiazole Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O4S/c26-25(27)18-4-2-17(3-5-18)24-9-7-23(8-10-24)12-16-13-30-21(22-16)15-1-6-19-20(11-15)29-14-28-19/h1-6,11,13H,7-10,12,14H2