butyl N'-[(E)-(4-methoxyphenyl)methylideneamino]carbamimidothioate bromide

Systemtic Name: butyl N'-[(E)-(4-methoxyphenyl)methylideneamino]carbamimidothioate bromide Openeye Name: 2-butyl-3-[(E)-(4-methoxyphenyl)methyleneamino]isothiourea bromide CAS Name: N'-[(E)-(4-methoxyphenyl)methylideneamino]carbamimidothioic acid butyl ester bromide IUPAC Name: butyl N'-[(E)-(4-methoxyphenyl)methylideneamino]carbamimidothioate bromide Traditional Name: 2-butyl-3-[(E)-p-anisylideneamino]isothiourea bromide Formula: C13H19BrN3OS- MolecularWeight: 345.27846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=NN=CC1=CC=C(C=C1)OC)N.[Br-]

Isomeric SMILES

CCCCS/C(=N/N=C/C1=CC=C(C=C1)OC)/N.[Br-]

InChI

InChI=1S/C13H19N3OS.BrH/c1-3-4-9-18-13(14)16-15-10-11-5-7-12(17-2)8-6-11;/h5-8,10H,3-4,9H2,1-2H3,(H2,14,16);1H/p-1/b15-10+;