3,6-bis(azanyl)-N2-(2-bromophenyl)-N5-phenyl-thieno[2,3-b]pyridin-7-ium-2,5-dicarboxamide

Systemtic Name: 3,6-bis(azanyl)-N2-(2-bromophenyl)-N5-phenyl-thieno[2,3-b]pyridin-7-ium-2,5-dicarboxamide Openeye Name: 3,6-diamino-N2-(2-bromophenyl)-N5-phenyl-thieno[2,3-b]pyridin-7-ium-2,5-dicarboxamide CAS Name: 3,6-diamino-N2-(2-bromophenyl)-N5-phenylthieno[2,3-b]pyridin-7-ium-2,5-dicarboxamide IUPAC Name: 3,6-diamino-2-N-(2-bromophenyl)-5-N-phenylthieno[2,3-b]pyridin-7-ium-2,5-dicarboxamide Traditional Name: 3,6-diamino-N-(2-bromophenyl)-N'-phenyl-thieno[2,3-b]pyridin-7-ium-2,5-dicarboxamide Formula: C21H17BrN5O2S+ MolecularWeight: 483.36098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=C([NH+]=C3C(=C2)C(=C(S3)C(=O)NC4=CC=CC=C4Br)N)N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=C([NH+]=C3C(=C2)C(=C(S3)C(=O)NC4=CC=CC=C4Br)N)N

InChI

InChI=1S/C21H16BrN5O2S/c22-14-8-4-5-9-15(14)26-20(29)17-16(23)12-10-13(18(24)27-21(12)30-17)19(28)25-11-6-2-1-3-7-11/h1-10H,23H2,(H2,24,27)(H,25,28)(H,26,29)/p+1