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ethyl 4-(11-carbamimidoylsulfanylundecanoylamino)benzoate bromide

ethyl 4-(11-carbamimidoylsulfanylundecanoylamino)benzoate bromide

Systemtic Name:ethyl 4-(11-carbamimidoylsulfanylundecanoylamino)benzoate bromide
Openeye Name:ethyl 4-(11-carbamimidoylsulfanylundecanoylamino)benzoate bromide
CAS Name:4-[[11-(carbamimidoylthio)-1-oxoundecyl]amino]benzoic acid ethyl ester bromide
IUPAC Name:ethyl 4-(11-carbamimidoylsulfanylundecanoylamino)benzoate bromide
Traditional Name:4-[11-(amidinothio)undecanoylamino]benzoic acid ethyl ester bromide
Formula: C21H33BrN3O3S-
MolecularWeight: 487.47402
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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/p-1


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