N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenethyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-phenethylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenethylbenzimidazol-2-yl)thio]acetamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4N3CCC5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4N3CCC5=CC=CC=C5

InChI

InChI=1S/C25H23N3O3S/c29-24(26-19-10-11-22-23(16-19)31-15-14-30-22)17-32-25-27-20-8-4-5-9-21(20)28(25)13-12-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,26,29)