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

Systemtic Name: N-[3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide Openeye Name: N-[3-(4-benzylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiophene-2-carboxamide CAS Name: N-[3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[3-(4-benzylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]thiophene-2-carboxamide Traditional Name: N-[3-(4-benzylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiophene-2-carboxamide Formula: C25H28N3O2S2+ MolecularWeight: 466.63872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CS3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CS3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C25H27N3O2S2/c29-23(21-11-6-16-31-21)26-24-22(19-9-4-5-10-20(19)32-24)25(30)28-14-12-27(13-15-28)17-18-7-2-1-3-8-18/h1-3,6-8,11,16H,4-5,9-10,12-15,17H2,(H,26,29)/p+1