dodecyl N'-(phenylmethyl)carbamimidothioate hydrobromide

Systemtic Name: dodecyl N'-(phenylmethyl)carbamimidothioate hydrobromide Openeye Name: 3-benzyl-2-dodecyl-isothiourea hydrobromide CAS Name: N'-(phenylmethyl)carbamimidothioic acid dodecyl ester hydrobromide IUPAC Name: dodecyl N'-benzylcarbamimidothioate hydrobromide Traditional Name: 3-benzyl-2-lauryl-isothiourea hydrobromide Formula: C20H35BrN2S MolecularWeight: 415.4743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC(=NCC1=CC=CC=C1)N.Br

Isomeric SMILES

CCCCCCCCCCCCSC(=NCC1=CC=CC=C1)N.Br

InChI

InChI=1S/C20H34N2S.BrH/c1-2-3-4-5-6-7-8-9-10-14-17-23-20(21)22-18-19-15-12-11-13-16-19;/h11-13,15-16H,2-10,14,17-18H2,1H3,(H2,21,22);1H