(3-methyl-1-benzothiophen-2-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (3-methyl-1-benzothiophen-2-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (3-methylbenzothiophen-2-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: (3-methyl-1-benzothiophen-2-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (3-methyl-1-benzothiophen-2-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: (3-methylbenzothiophen-2-yl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methanone Formula: C21H18F3N3O3S MolecularWeight: 449.44613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H18F3N3O3S/c1-13-15-4-2-3-5-18(15)31-19(13)20(28)26-10-8-25(9-11-26)16-7-6-14(21(22,23)24)12-17(16)27(29)30/h2-7,12H,8-11H2,1H3