ethyl 4-(11-carbamimidoylsulfanylundecanoylamino)benzoate hydrobromide

Systemtic Name: ethyl 4-(11-carbamimidoylsulfanylundecanoylamino)benzoate hydrobromide Openeye Name: ethyl 4-(11-carbamimidoylsulfanylundecanoylamino)benzoate hydrobromide CAS Name: 4-[[11-(carbamimidoylthio)-1-oxoundecyl]amino]benzoic acid ethyl ester hydrobromide IUPAC Name: ethyl 4-(11-carbamimidoylsulfanylundecanoylamino)benzoate hydrobromide Traditional Name: 4-[11-(amidinothio)undecanoylamino]benzoic acid ethyl ester hydrobromide Formula: C21H34BrN3O3S MolecularWeight: 488.48196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCCCCCCCCSC(=N)N.Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCCCCCCCCSC(=N)N.Br

InChI

InChI=1S/C21H33N3O3S.BrH/c1-2-27-20(26)17-12-14-18(15-13-17)24-19(25)11-9-7-5-3-4-6-8-10-16-28-21(22)23;/h12-15H,2-11,16H2,1H3,(H3,22,23)(H,24,25);1H