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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[1-(4-methoxyphenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[1-(4-methoxyphenyl)imidazol-2-yl]thio]acetamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=CN=C2SCC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=CC=C(C=C1)N2C=CN=C2SCC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H21N3O4S/c1-26-17-6-4-16(5-7-17)24-10-9-22-21(24)29-14-20(25)23-15-3-8-18-19(13-15)28-12-2-11-27-18/h3-10,13H,2,11-12,14H2,1H3,(H,23,25)