S-(N'-acridin-9-yl-N-phenyl-carbamimidoyl) 2-bromanylethanethioate hydrobromide

Systemtic Name: S-(N'-acridin-9-yl-N-phenyl-carbamimidoyl) 2-bromanylethanethioate hydrobromide Openeye Name: S-(N'-acridin-9-yl-N-phenyl-carbamimidoyl) 2-bromoethanethioate hydrobromide CAS Name: 2-bromoethanethioic acid S-[9-acridinylimino(anilino)methyl] ester hydrobromide IUPAC Name: S-(N'-acridin-9-yl-N-phenylcarbamimidoyl) 2-bromoethanethioate hydrobromide Traditional Name: 2-bromoethanethioic acid S-(N'-acridin-9-yl-N-phenyl-amidino) ester hydrobromide Formula: C22H17Br2N3OS MolecularWeight: 531.26288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=NC2=C3C=CC=CC3=NC4=CC=CC=C42)SC(=O)CBr.Br

Isomeric SMILES

C1=CC=C(C=C1)NC(=NC2=C3C=CC=CC3=NC4=CC=CC=C42)SC(=O)CBr.Br

InChI

InChI=1S/C22H16BrN3OS.BrH/c23-14-20(27)28-22(24-15-8-2-1-3-9-15)26-21-16-10-4-6-12-18(16)25-19-13-7-5-11-17(19)21;/h1-13H,14H2,(H,24,25,26);1H