1,3-bis[[bis(2-hydroxyethyl)amino]methyl]-4-nitro-benzimidazole-2-thione

Systemtic Name: 1,3-bis[[bis(2-hydroxyethyl)amino]methyl]-4-nitro-benzimidazole-2-thione Openeye Name: 1,3-bis[[bis(2-hydroxyethyl)amino]methyl]-4-nitro-benzimidazole-2-thione CAS Name: 1,3-bis[[bis(2-hydroxyethyl)amino]methyl]-4-nitro-2-benzimidazolethione IUPAC Name: 1,3-bis[[bis(2-hydroxyethyl)amino]methyl]-4-nitrobenzimidazole-2-thione Traditional Name: 1,3-bis[[bis(2-hydroxyethyl)amino]methyl]-4-nitro-benzimidazole-2-thione Formula: C17H27N5O6S MolecularWeight: 429.49118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])N(C(=S)N2CN(CCO)CCO)CN(CCO)CCO

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])N(C(=S)N2CN(CCO)CCO)CN(CCO)CCO

InChI

InChI=1S/C17H27N5O6S/c23-8-4-18(5-9-24)12-20-14-2-1-3-15(22(27)28)16(14)21(17(20)29)13-19(6-10-25)7-11-26/h1-3,23-26H,4-13H2