N-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[4-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-[(1-methyl-2-imidazolyl)thio]acetamide IUPAC Name: N-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide Traditional Name: N-[4-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]-2-[(1-methylimidazol-2-yl)thio]acetamide Formula: C26H30N5O3S+ MolecularWeight: 492.6131

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C26H29N5O3S/c1-29-10-9-27-26(29)35-18-24(32)28-22-5-3-20(4-6-22)25(33)31-13-11-30(12-14-31)17-19-2-7-23-21(16-19)8-15-34-23/h2-7,9-10,16H,8,11-15,17-18H2,1H3,(H,28,32)/p+1