[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(3,4,5-trimethoxy-2-nitro-phenyl)methanone

Systemtic Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(3,4,5-trimethoxy-2-nitro-phenyl)methanone Openeye Name: [4-(benzothiophen-3-ylmethyl)piperazin-1-yl]-(3,4,5-trimethoxy-2-nitro-phenyl)methanone CAS Name: [4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-(3,4,5-trimethoxy-2-nitrophenyl)methanone IUPAC Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(3,4,5-trimethoxy-2-nitrophenyl)methanone Traditional Name: [4-(benzothiophen-3-ylmethyl)piperazino]-(3,4,5-trimethoxy-2-nitro-phenyl)methanone Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C23H25N3O6S/c1-30-18-12-17(20(26(28)29)22(32-3)21(18)31-2)23(27)25-10-8-24(9-11-25)13-15-14-33-19-7-5-4-6-16(15)19/h4-7,12,14H,8-11,13H2,1-3H3