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

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

CCCCN1C(=C(N=C1SCC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1SCC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3)C)C

InChI

InChI=1S/C20H26N4O5S/c1-4-5-7-23-14(3)13(2)21-20(23)30-12-19(25)22-15-10-17-18(11-16(15)24(26)27)29-9-6-8-28-17/h10-11H,4-9,12H2,1-3H3,(H,22,25)