3-methyl-1-[4-[(5-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-[(5-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-(5-nitrobenzothiophene-2-carbonyl)piperazin-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-1-butanone IUPAC Name: 3-methyl-1-[4-(5-nitro-1-benzothiophene-2-carbonyl)piperazin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-(5-nitrobenzothiophene-2-carbonyl)piperazino]butan-1-one Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4S/c1-12(2)9-17(22)19-5-7-20(8-6-19)18(23)16-11-13-10-14(21(24)25)3-4-15(13)26-16/h3-4,10-12H,5-9H2,1-2H3