N-[3-(4-ethylpiperazin-4-ium-1-yl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[3-(4-ethylpiperazin-4-ium-1-yl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide Openeye Name: N-[3-(4-ethylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiophene-2-carboxamide CAS Name: N-[3-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[3-(4-ethylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide Traditional Name: N-[3-(4-ethylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiophene-2-carboxamide Formula: C20H26N3O2S2+ MolecularWeight: 404.56934

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=CS4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C20H25N3O2S2/c1-2-22-9-11-23(12-10-22)20(25)17-14-6-3-4-7-15(14)27-19(17)21-18(24)16-8-5-13-26-16/h5,8,13H,2-4,6-7,9-12H2,1H3,(H,21,24)/p+1