(4-butoxy-3-methoxy-phenyl)-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]methanone

Systemtic Name: (4-butoxy-3-methoxy-phenyl)-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]methanone Openeye Name: (4-butoxy-3-methoxy-phenyl)-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]methanone CAS Name: (4-butoxy-3-methoxyphenyl)-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]methanone IUPAC Name: (4-butoxy-3-methoxyphenyl)-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]methanone Traditional Name: (4-butoxy-3-methoxy-phenyl)-[4-(5-nitrothiophene-2-carbonyl)piperazino]methanone Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-3-4-13-30-16-6-5-15(14-17(16)29-2)20(25)22-9-11-23(12-10-22)21(26)18-7-8-19(31-18)24(27)28/h5-8,14H,3-4,9-13H2,1-2H3