2,3-dihydro-1,4-benzodioxin-6-yl-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C20H18N4O5S MolecularWeight: 426.44572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C20H18N4O5S/c25-19(13-1-4-16-17(11-13)29-10-9-28-16)22-5-7-23(8-6-22)20-21-15-3-2-14(24(26)27)12-18(15)30-20/h1-4,11-12H,5-10H2