N-[3-(thiophen-2-ylmethylamino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[3-(thiophen-2-ylmethylamino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-(2-thienylmethylamino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-(thiophen-2-ylmethylamino)-2-quinoxalinyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-(thiophen-2-ylmethylamino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-(2-thenylamino)quinoxalin-2-yl]piazthiole-4-sulfonamide Formula: C19H14N6O2S3 MolecularWeight: 454.54846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=CC4=NSN=C43)NCC5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=CC4=NSN=C43)NCC5=CC=CS5

InChI

InChI=1S/C19H14N6O2S3/c26-30(27,16-9-3-8-15-17(16)24-29-23-15)25-19-18(20-11-12-5-4-10-28-12)21-13-6-1-2-7-14(13)22-19/h1-10H,11H2,(H,20,21)(H,22,25)