2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[(1-cyclohexyl-4,5-dimethyl-2-imidazolyl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)NC2=CC3=C(C=C2)OCCCO3)C4CCCCC4)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)NC2=CC3=C(C=C2)OCCCO3)C4CCCCC4)C

InChI

InChI=1S/C22H29N3O3S/c1-15-16(2)25(18-7-4-3-5-8-18)22(23-15)29-14-21(26)24-17-9-10-19-20(13-17)28-12-6-11-27-19/h9-10,13,18H,3-8,11-12,14H2,1-2H3,(H,24,26)