N-(1,3-benzodioxol-5-ylmethyl)-N-[(5,8-dimethoxy-2-pyrrolidin-1-yl-quinolin-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(5,8-dimethoxy-2-pyrrolidin-1-yl-quinolin-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(5,8-dimethoxy-2-pyrrolidin-1-yl-3-quinolyl)methyl]-1,2,5-thiadiazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[5,8-dimethoxy-2-(1-pyrrolidinyl)-3-quinolinyl]methyl]-1,2,5-thiadiazole-3-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(5,8-dimethoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide Traditional Name: N-[(5,8-dimethoxy-2-pyrrolidino-3-quinolyl)methyl]-N-piperonyl-1,2,5-thiadiazole-3-carboxamide Formula: C27H27N5O5S MolecularWeight: 533.59878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=C(C(=NC2=C(C=C1)OC)N3CCCC3)CN(CC4=CC5=C(C=C4)OCO5)C(=O)C6=NSN=C6

Isomeric SMILES

COC1=C2C=C(C(=NC2=C(C=C1)OC)N3CCCC3)CN(CC4=CC5=C(C=C4)OCO5)C(=O)C6=NSN=C6

InChI

InChI=1S/C27H27N5O5S/c1-34-21-7-8-23(35-2)25-19(21)12-18(26(29-25)31-9-3-4-10-31)15-32(27(33)20-13-28-38-30-20)14-17-5-6-22-24(11-17)37-16-36-22/h5-8,11-13H,3-4,9-10,14-16H2,1-2H3