2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl carbamimidothioate bromide

Systemtic Name: 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl carbamimidothioate bromide Openeye Name: 2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethyl]isothiourea bromide CAS Name: carbamimidothioic acid 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl ester bromide IUPAC Name: 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl carbamimidothioate bromide Traditional Name: 2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethyl]isothiourea bromide Formula: C17H28BrN2OS- MolecularWeight: 388.38602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCSC(=N)N.[Br-]

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCSC(=N)N.[Br-]

InChI

InChI=1S/C17H28N2OS.BrH/c1-16(2,3)12-17(4,5)13-6-8-14(9-7-13)20-10-11-21-15(18)19;/h6-9H,10-12H2,1-5H3,(H3,18,19);1H/p-1