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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)SCC(=O)NC2=CC3=C(C=C2)OCCCO3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(N1)SCC(=O)NC2=CC3=C(C=C2)OCCCO3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3S/c1-15-18(12-16-6-3-2-4-7-16)25-22(23-15)29-14-21(26)24-17-8-9-19-20(13-17)28-11-5-10-27-19/h2-4,6-9,13H,5,10-12,14H2,1H3,(H,23,25)(H,24,26)