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

Systemtic Name: 4-[[3-(cyclohexylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]-2-nitro-phenolate Openeye Name: 4-[[3-(cyclohexylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]iminomethyl]-2-nitro-phenolate CAS Name: 4-[[3-[(cyclohexylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]-2-nitrophenolate IUPAC Name: 4-[[3-(cyclohexylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]-2-nitrophenolate Traditional Name: 4-[[3-(cyclohexylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]iminomethyl]-2-nitro-phenolate Formula: C22H24N3O4S- MolecularWeight: 426.50866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c26-18-11-10-14(12-17(18)25(28)29)13-23-22-20(16-8-4-5-9-19(16)30-22)21(27)24-15-6-2-1-3-7-15/h10-13,15,26H,1-9H2,(H,24,27)/p-1