2-[[3-(cyclohexylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]-4,6-dinitro-phenolate

Systemtic Name: 2-[[3-(cyclohexylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]-4,6-dinitro-phenolate Openeye Name: 2-[[3-(cyclohexylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]iminomethyl]-4,6-dinitro-phenolate CAS Name: 2-[[3-[(cyclohexylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]-4,6-dinitrophenolate IUPAC Name: 2-[[3-(cyclohexylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]-4,6-dinitrophenolate Traditional Name: 2-[[3-(cyclohexylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]iminomethyl]-4,6-dinitro-phenolate Formula: C22H23N4O6S- MolecularWeight: 471.50622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=C(SC3=C2CCCC3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=C(SC3=C2CCCC3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O6S/c27-20-13(10-15(25(29)30)11-17(20)26(31)32)12-23-22-19(16-8-4-5-9-18(16)33-22)21(28)24-14-6-2-1-3-7-14/h10-12,14,27H,1-9H2,(H,24,28)/p-1