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

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone Openeye Name: (4,5-dimethoxy-2-nitro-phenyl)-[4-(3-thienylmethyl)piperazin-1-yl]methanone CAS Name: (4,5-dimethoxy-2-nitrophenyl)-[4-(3-thiophenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone Traditional Name: (4,5-dimethoxy-2-nitro-phenyl)-[4-(3-thenyl)piperazino]methanone Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)CC3=CSC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)CC3=CSC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H21N3O5S/c1-25-16-9-14(15(21(23)24)10-17(16)26-2)18(22)20-6-4-19(5-7-20)11-13-3-8-27-12-13/h3,8-10,12H,4-7,11H2,1-2H3