4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-benzamide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-benzamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-benzamide CAS Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide Traditional Name: 4-[(1H-benzimidazol-2-ylthio)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-benzamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

CN(CC1COC2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H23N3O3S/c1-28(14-19-15-30-22-8-4-5-9-23(22)31-19)24(29)18-12-10-17(11-13-18)16-32-25-26-20-6-2-3-7-21(20)27-25/h2-13,19H,14-16H2,1H3,(H,26,27)