2-(3-bromanylphenoxy)ethyl N'-[(2S)-butan-2-yl]carbamimidothioate

Systemtic Name: 2-(3-bromanylphenoxy)ethyl N'-[(2S)-butan-2-yl]carbamimidothioate Openeye Name: 2-[2-(3-bromophenoxy)ethyl]-3-[(1S)-1-methylpropyl]isothiourea CAS Name: N'-[(2S)-butan-2-yl]carbamimidothioic acid 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl N'-[(2S)-butan-2-yl]carbamimidothioate Traditional Name: 2-[2-(3-bromophenoxy)ethyl]-3-[(1S)-1-methylpropyl]isothiourea Formula: C13H19BrN2OS MolecularWeight: 331.27176

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N=C(N)SCCOC1=CC(=CC=C1)Br

Isomeric SMILES

CC[C@H](C)N=C(N)SCCOC1=CC(=CC=C1)Br

InChI

InChI=1S/C13H19BrN2OS/c1-3-10(2)16-13(15)18-8-7-17-12-6-4-5-11(14)9-12/h4-6,9-10H,3,7-8H2,1-2H3,(H2,15,16)/t10-/m0/s1