N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-8-oxidanyl-quinoline-7-carboxamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-8-oxidanyl-quinoline-7-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-8-hydroxy-quinoline-7-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-8-hydroxy-7-quinolinecarboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethylamino)-1,3,4-thiadiazol-2-yl]-8-hydroxyquinoline-7-carboxamide Traditional Name: 8-hydroxy-N-[5-(piperonylamino)-1,3,4-thiadiazol-2-yl]quinoline-7-carboxamide Formula: C20H15N5O4S MolecularWeight: 421.4292

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NN=C(S3)NC(=O)C4=C(C5=C(C=CC=N5)C=C4)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NN=C(S3)NC(=O)C4=C(C5=C(C=CC=N5)C=C4)O

InChI

InChI=1S/C20H15N5O4S/c26-17-13(5-4-12-2-1-7-21-16(12)17)18(27)23-20-25-24-19(30-20)22-9-11-3-6-14-15(8-11)29-10-28-14/h1-8,26H,9-10H2,(H,22,24)(H,23,25,27)