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

Systemtic Name: 2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamide Openeye Name: 2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide CAS Name: 2-[(1-cyclopentyl-4,5-dimethyl-2-imidazolyl)thio]-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide IUPAC Name: 2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Traditional Name: 2-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)thio]-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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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)C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3)C4CCCC4)C

InChI

InChI=1S/C21H26N4O5S/c1-13-14(2)24(15-6-3-4-7-15)21(22-13)31-12-20(26)23-16-10-18-19(11-17(16)25(27)28)30-9-5-8-29-18/h10-11,15H,3-9,12H2,1-2H3,(H,23,26)