ethyl 4-(11-carbamimidoylsulfanylundecylamino)benzoate hydrobromide

Systemtic Name: ethyl 4-(11-carbamimidoylsulfanylundecylamino)benzoate hydrobromide Openeye Name: ethyl 4-(11-carbamimidoylsulfanylundecylamino)benzoate hydrobromide CAS Name: 4-[11-(carbamimidoylthio)undecylamino]benzoic acid ethyl ester hydrobromide IUPAC Name: ethyl 4-(11-carbamimidoylsulfanylundecylamino)benzoate hydrobromide Traditional Name: 4-[11-(amidinothio)undecylamino]benzoic acid ethyl ester hydrobromide Formula: C21H36BrN3O2S MolecularWeight: 474.49844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCSC(=N)N.Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCSC(=N)N.Br

InChI

InChI=1S/C21H35N3O2S.BrH/c1-2-26-20(25)18-12-14-19(15-13-18)24-16-10-8-6-4-3-5-7-9-11-17-27-21(22)23;/h12-15,24H,2-11,16-17H2,1H3,(H3,22,23);1H