2-(1,3-benzodioxol-5-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)cinchoninamide Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCC(CC1)C2=NN=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H22N4O3S/c30-23(27-25-29-28-24(33-25)15-6-2-1-3-7-15)18-13-20(26-19-9-5-4-8-17(18)19)16-10-11-21-22(12-16)32-14-31-21/h4-5,8-13,15H,1-3,6-7,14H2,(H,27,29,30)