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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)OC(O2)CNC3=NN=C(S3)NC(=O)C4=C(C5=C(C=CC=N5)C=C4)O

Isomeric SMILES

C1=CC=C2C(=C1)OC(O2)CNC3=NN=C(S3)NC(=O)C4=C(C5=C(C=CC=N5)C=C4)O

InChI

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