2-(1-methylimidazol-2-yl)sulfanyl-N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide

Systemtic Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(1-methylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(1-methyl-2-imidazolyl)thio]acetamide IUPAC Name: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide Traditional Name: N-(3-benzoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(1-methylimidazol-2-yl)thio]acetamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2S2/c1-24-12-11-22-21(24)27-13-17(25)23-20-18(15-9-5-6-10-16(15)28-20)19(26)14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10,13H2,1H3,(H,23,25)