2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamide

Systemtic Name: 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamide Openeye Name: 2-(1-isobutyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide CAS Name: 2-[[4,5-dimethyl-1-(2-methylpropyl)-2-imidazolyl]thio]-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide IUPAC Name: 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Traditional Name: 2-[(1-isobutyl-4,5-dimethyl-imidazol-2-yl)thio]-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Formula: C20H26N4O5S MolecularWeight: 434.50924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3)CC(C)C)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3)CC(C)C)C

InChI

InChI=1S/C20H26N4O5S/c1-12(2)10-23-14(4)13(3)21-20(23)30-11-19(25)22-15-8-17-18(9-16(15)24(26)27)29-7-5-6-28-17/h8-9,12H,5-7,10-11H2,1-4H3,(H,22,25)