(5-bromanyl-2-butoxy-phenyl)methyl carbamimidothioate

Systemtic Name: (5-bromanyl-2-butoxy-phenyl)methyl carbamimidothioate Openeye Name: 2-[(5-bromo-2-butoxy-phenyl)methyl]isothiourea CAS Name: carbamimidothioic acid (5-bromo-2-butoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-butoxyphenyl)methyl carbamimidothioate Traditional Name: 2-(5-bromo-2-butoxy-benzyl)isothiourea Formula: C12H17BrN2OS MolecularWeight: 317.24518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)CSC(=N)N

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)CSC(=N)N

InChI

InChI=1S/C12H17BrN2OS/c1-2-3-6-16-11-5-4-10(13)7-9(11)8-17-12(14)15/h4-5,7H,2-3,6,8H2,1H3,(H3,14,15)