2-[4-[4-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)piperidin-1-yl]-4-methyl-pentyl]-3-oxidanylidene-1,2-benzothiazole-4,5-diolate

Systemtic Name: 2-[4-[4-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)piperidin-1-yl]-4-methyl-pentyl]-3-oxidanylidene-1,2-benzothiazole-4,5-diolate Openeye Name: 2-[4-[4-(3-ethyl-2-oxo-benzimidazol-1-yl)-1-piperidyl]-4-methyl-pentyl]-3-oxo-1,2-benzothiazole-4,5-diolate CAS Name: 2-[4-[4-(3-ethyl-2-oxo-1-benzimidazolyl)-1-piperidinyl]-4-methylpentyl]-3-oxo-1,2-benzothiazole-4,5-diolate IUPAC Name: 2-[4-[4-(3-ethyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]-4-methylpentyl]-3-oxo-1,2-benzothiazole-4,5-diolate Traditional Name: 2-[4-[4-(3-ethyl-2-keto-benzimidazol-1-yl)piperidino]-4-methyl-pentyl]-3-keto-1,2-benzothiazole-4,5-diolate Formula: C27H32N4O4S-2 MolecularWeight: 508.63238

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C1=O)C3CCN(CC3)C(C)(C)CCCN4C(=O)C5=C(S4)C=CC(=C5[O-])[O-]

Isomeric SMILES

CCN1C2=CC=CC=C2N(C1=O)C3CCN(CC3)C(C)(C)CCCN4C(=O)C5=C(S4)C=CC(=C5[O-])[O-]

InChI

InChI=1S/C27H34N4O4S/c1-4-29-19-8-5-6-9-20(19)31(26(29)35)18-12-16-28(17-13-18)27(2,3)14-7-15-30-25(34)23-22(36-30)11-10-21(32)24(23)33/h5-6,8-11,18,32-33H,4,7,12-17H2,1-3H3/p-2