2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[[2-(1-imidazolylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[2-(imidazol-1-ylmethyl)benzyl]acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC(=O)NCC3=CC=CC=C3CN4C=CN=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC(=O)NCC3=CC=CC=C3CN4C=CN=C4

InChI

InChI=1S/C21H21N3O3S/c25-21(14-28-18-5-6-19-20(11-18)27-10-9-26-19)23-12-16-3-1-2-4-17(16)13-24-8-7-22-15-24/h1-8,11,15H,9-10,12-14H2,(H,23,25)