2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-1,3-di(piperidin-1-yl)propane-1,3-dione

Systemtic Name: 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-1,3-di(piperidin-1-yl)propane-1,3-dione Openeye Name: 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-1,3-bis(1-piperidyl)propane-1,3-dione CAS Name: 2-[(6-nitro-1H-benzimidazol-2-yl)thio]-1,3-bis(1-piperidinyl)propane-1,3-dione IUPAC Name: 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-1,3-di(piperidin-1-yl)propane-1,3-dione Traditional Name: 2-[(6-nitro-1H-benzimidazol-2-yl)thio]-1,3-dipiperidino-propane-1,3-dione Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C(=O)N2CCCCC2)SC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)C(C(=O)N2CCCCC2)SC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O4S/c26-18(23-9-3-1-4-10-23)17(19(27)24-11-5-2-6-12-24)30-20-21-15-8-7-14(25(28)29)13-16(15)22-20/h7-8,13,17H,1-6,9-12H2,(H,21,22)