S-[N-acridin-9-yl-N'-(phenylmethyl)carbamimidoyl] 2-bromanylethanethioate hydrobromide

Systemtic Name: S-[N-acridin-9-yl-N'-(phenylmethyl)carbamimidoyl] 2-bromanylethanethioate hydrobromide Openeye Name: S-(N-acridin-9-yl-N'-benzyl-carbamimidoyl) 2-bromoethanethioate hydrobromide CAS Name: 2-bromoethanethioic acid S-[(9-acridinylamino)-(phenylmethyl)iminomethyl] ester hydrobromide IUPAC Name: S-(N-acridin-9-yl-N'-benzylcarbamimidoyl) 2-bromoethanethioate hydrobromide Traditional Name: 2-bromoethanethioic acid S-(N-acridin-9-yl-N'-benzyl-amidino) ester hydrobromide Formula: C23H19Br2N3OS MolecularWeight: 545.28946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18BrN3OS.BrH/c24-14-21(28)29-23(25-15-16-8-2-1-3-9-16)27-22-17-10-4-6-12-19(17)26-20-13-7-5-11-18(20)22;/h1-13H,14-15H2,(H,25,26,27);1H