N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[1-(phenylmethyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[(1-benzylbenzimidazol-2-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4N3CC5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC4=CC=CC=C4N3CC5=CC=CC=C5

InChI

InChI=1S/C24H21N3O3S/c28-23(25-18-10-11-21-22(14-18)30-13-12-29-21)16-31-24-26-19-8-4-5-9-20(19)27(24)15-17-6-2-1-3-7-17/h1-11,14H,12-13,15-16H2,(H,25,28)