1,3-bis[[bis(2-hydroxyethyl)amino]methyl]-5-nitro-benzimidazole-2-thione

Systemtic Name: 1,3-bis[[bis(2-hydroxyethyl)amino]methyl]-5-nitro-benzimidazole-2-thione Openeye Name: 1,3-bis[[bis(2-hydroxyethyl)amino]methyl]-5-nitro-benzimidazole-2-thione CAS Name: 1,3-bis[[bis(2-hydroxyethyl)amino]methyl]-5-nitro-2-benzimidazolethione IUPAC Name: 1,3-bis[[bis(2-hydroxyethyl)amino]methyl]-5-nitrobenzimidazole-2-thione Traditional Name: 1,3-bis[[bis(2-hydroxyethyl)amino]methyl]-5-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/c23-7-3-18(4-8-24)12-20-15-2-1-14(22(27)28)11-16(15)21(17(20)29)13-19(5-9-25)6-10-26/h1-2,11,23-26H,3-10,12-13H2