(4-butoxyphenyl)-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]methanone

Systemtic Name: (4-butoxyphenyl)-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]methanone CAS Name: (4-butoxyphenyl)-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]methanone IUPAC Name: (4-butoxyphenyl)-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[4-(5-nitrothiophene-2-carbonyl)piperazino]methanone Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-2-3-14-28-16-6-4-15(5-7-16)19(24)21-10-12-22(13-11-21)20(25)17-8-9-18(29-17)23(26)27/h4-9H,2-3,10-14H2,1H3