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

Systemtic Name: ethyl 2-[[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-(4-methyl-1-piperazin-4-iumyl)-5-nitrophenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-methylpiperazin-4-ium-1-yl)-5-nitrobenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H29N4O5S+ MolecularWeight: 473.56516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CC[NH+](CC4)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CC[NH+](CC4)C

InChI

InChI=1S/C23H28N4O5S/c1-3-32-23(29)20-16-6-4-5-7-19(16)33-22(20)24-21(28)17-14-15(27(30)31)8-9-18(17)26-12-10-25(2)11-13-26/h8-9,14H,3-7,10-13H2,1-2H3,(H,24,28)/p+1