(4,7-dimethoxy-1-benzothiophen-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (4,7-dimethoxy-1-benzothiophen-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (4,7-dimethoxybenzothiophen-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: (4,7-dimethoxy-1-benzothiophen-2-yl)-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (4,7-dimethoxy-1-benzothiophen-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (4,7-dimethoxybenzothiophen-2-yl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C21H21N3O5S MolecularWeight: 427.47354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=C(SC2=C(C=C1)OC)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C2C=C(SC2=C(C=C1)OC)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5S/c1-28-17-7-8-18(29-2)20-16(17)13-19(30-20)21(25)23-11-9-22(10-12-23)14-3-5-15(6-4-14)24(26)27/h3-8,13H,9-12H2,1-2H3