N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[1-(2,5-dimethylphenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]thio]acetamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=CN=C2SCC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=CN=C2SCC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H23N3O3S/c1-15-4-5-16(2)18(12-15)25-9-8-23-22(25)29-14-21(26)24-17-6-7-19-20(13-17)28-11-3-10-27-19/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,24,26)