butyl 5-acetyloxy-6-bromanyl-2-(carbamimidoylsulfanylmethyl)-1-phenyl-indole-3-carboxylate hydrobromide

Systemtic Name: butyl 5-acetyloxy-6-bromanyl-2-(carbamimidoylsulfanylmethyl)-1-phenyl-indole-3-carboxylate hydrobromide Openeye Name: butyl 5-acetoxy-6-bromo-2-(carbamimidoylsulfanylmethyl)-1-phenyl-indole-3-carboxylate hydrobromide CAS Name: 5-acetyloxy-6-bromo-2-[(carbamimidoylthio)methyl]-1-phenyl-3-indolecarboxylic acid butyl ester hydrobromide IUPAC Name: butyl 5-acetyloxy-6-bromo-2-(carbamimidoylsulfanylmethyl)-1-phenylindole-3-carboxylate hydrobromide Traditional Name: 5-acetoxy-2-[(amidinothio)methyl]-6-bromo-1-phenyl-indole-3-carboxylic acid butyl ester hydrobromide Formula: C23H25Br2N3O4S MolecularWeight: 599.3353

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=CC=C3)CSC(=N)N.Br

Isomeric SMILES

CCCCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=CC=C3)CSC(=N)N.Br

InChI

InChI=1S/C23H24BrN3O4S.BrH/c1-3-4-10-30-22(29)21-16-11-20(31-14(2)28)17(24)12-18(16)27(15-8-6-5-7-9-15)19(21)13-32-23(25)26;/h5-9,11-12H,3-4,10,13H2,1-2H3,(H3,25,26);1H