ethyl 2-[[4-(4-ethylpiperazin-4-ium-1-yl)-3-nitro-phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(4-ethylpiperazin-4-ium-1-yl)-3-nitro-phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(4-ethylpiperazin-4-ium-1-yl)-3-nitro-benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[4-(4-ethyl-1-piperazin-4-iumyl)-3-nitrophenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-ethylpiperazin-4-ium-1-yl)-3-nitrobenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-(4-ethylpiperazin-4-ium-1-yl)-3-nitro-benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H31N4O5S+ MolecularWeight: 487.59174

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O5S/c1-3-26-11-13-27(14-12-26)18-10-9-16(15-19(18)28(31)32)22(29)25-23-21(24(30)33-4-2)17-7-5-6-8-20(17)34-23/h9-10,15H,3-8,11-14H2,1-2H3,(H,25,29)/p+1