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

Systemtic Name: S-(N-acridin-9-yl-N'-cyclohexyl-carbamimidoyl) 2-bromanylethanethioate hydrobromide Openeye Name: S-(N-acridin-9-yl-N'-cyclohexyl-carbamimidoyl) 2-bromoethanethioate hydrobromide CAS Name: 2-bromoethanethioic acid S-[(9-acridinylamino)-cyclohexyliminomethyl] ester hydrobromide IUPAC Name: S-(N-acridin-9-yl-N'-cyclohexylcarbamimidoyl) 2-bromoethanethioate hydrobromide Traditional Name: 2-bromoethanethioic acid S-(N-acridin-9-yl-N'-cyclohexyl-amidino) ester hydrobromide Formula: C22H23Br2N3OS MolecularWeight: 537.31052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N=C(NC2=C3C=CC=CC3=NC4=CC=CC=C42)SC(=O)CBr.Br

Isomeric SMILES

C1CCC(CC1)N=C(NC2=C3C=CC=CC3=NC4=CC=CC=C42)SC(=O)CBr.Br

InChI

InChI=1S/C22H22BrN3OS.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;/h4-7,10-13,15H,1-3,8-9,14H2,(H,24,25,26);1H