[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Openeye Name: [4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitrobenzothiophen-2-yl)methanone CAS Name: [4-(6-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-(5-nitro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Traditional Name: [4-(6-methoxy-1,3-benzothiazol-2-yl)piperazino]-(5-nitrobenzothiophen-2-yl)methanone Formula: C21H18N4O4S2 MolecularWeight: 454.52202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4S2/c1-29-15-3-4-16-18(12-15)31-21(22-16)24-8-6-23(7-9-24)20(26)19-11-13-10-14(25(27)28)2-5-17(13)30-19/h2-5,10-12H,6-9H2,1H3