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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(o-tolyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[1-(2-methylphenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[1-(o-tolyl)imidazol-2-yl]thio]acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=CN=C2SCC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC=CC=C1N2C=CN=C2SCC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H21N3O3S/c1-15-5-2-3-6-17(15)24-10-9-22-21(24)28-14-20(25)23-16-7-8-18-19(13-16)27-12-4-11-26-18/h2-3,5-10,13H,4,11-12,14H2,1H3,(H,23,25)