1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]-4-(2-thienyl)butan-1-one CAS Name: 1-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[4-(5-nitrothiophene-2-carbonyl)piperazino]-4-(2-thienyl)butan-1-one Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCC2=CC=CS2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CCCC2=CC=CS2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O4S2/c21-15(5-1-3-13-4-2-12-25-13)18-8-10-19(11-9-18)17(22)14-6-7-16(26-14)20(23)24/h2,4,6-7,12H,1,3,5,8-11H2