2-(3-bromanylphenoxy)ethyl N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioate

Systemtic Name: 2-(3-bromanylphenoxy)ethyl N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioate Openeye Name: 2-[2-(3-bromophenoxy)ethyl]-3-[4-[(1S)-1-methylpropyl]phenyl]isothiourea CAS Name: N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioic acid 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioate Traditional Name: 2-[2-(3-bromophenoxy)ethyl]-3-[4-[(1S)-1-methylpropyl]phenyl]isothiourea Formula: C19H23BrN2OS MolecularWeight: 407.36772

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N=C(N)SCCOC2=CC(=CC=C2)Br

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)N=C(N)SCCOC2=CC(=CC=C2)Br

InChI

InChI=1S/C19H23BrN2OS/c1-3-14(2)15-7-9-17(10-8-15)22-19(21)24-12-11-23-18-6-4-5-16(20)13-18/h4-10,13-14H,3,11-12H2,1-2H3,(H2,21,22)/t14-/m0/s1