2-[2-(1-phenethylbenzimidazol-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(1-phenethylbenzimidazol-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(1-phenethylbenzimidazol-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-[(1-phenethyl-2-benzimidazolyl)thio]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(1-phenethylbenzimidazol-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[(1-phenethylbenzimidazol-2-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C26H26N4O2S2 MolecularWeight: 490.64024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC4=CC=CC=C4N3CCC5=CC=CC=C5)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC4=CC=CC=C4N3CCC5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C26H26N4O2S2/c27-24(32)23-18-10-4-7-13-21(18)34-25(23)29-22(31)16-33-26-28-19-11-5-6-12-20(19)30(26)15-14-17-8-2-1-3-9-17/h1-3,5-6,8-9,11-12H,4,7,10,13-16H2,(H2,27,32)(H,29,31)