S-(1-heptanoyl-5-nitro-benzimidazol-2-yl) heptanethioate

Systemtic Name: S-(1-heptanoyl-5-nitro-benzimidazol-2-yl) heptanethioate Openeye Name: S-(1-heptanoyl-5-nitro-benzimidazol-2-yl) heptanethioate CAS Name: heptanethioic acid S-[5-nitro-1-(1-oxoheptyl)-2-benzimidazolyl] ester IUPAC Name: S-(1-heptanoyl-5-nitrobenzimidazol-2-yl) heptanethioate Traditional Name: heptanethioic acid S-(1-enanthyl-5-nitro-benzimidazol-2-yl) ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1SC(=O)CCCCCC

Isomeric SMILES

CCCCCCC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1SC(=O)CCCCCC

InChI

InChI=1S/C21H29N3O4S/c1-3-5-7-9-11-19(25)23-18-14-13-16(24(27)28)15-17(18)22-21(23)29-20(26)12-10-8-6-4-2/h13-15H,3-12H2,1-2H3