2-[2,5-bis(chloranyl)phenyl]sulfanylethyl N'-tert-butylcarbamimidothioate

Systemtic Name: 2-[2,5-bis(chloranyl)phenyl]sulfanylethyl N'-tert-butylcarbamimidothioate Openeye Name: 3-tert-butyl-2-[2-(2,5-dichlorophenyl)sulfanylethyl]isothiourea CAS Name: N'-tert-butylcarbamimidothioic acid 2-[(2,5-dichlorophenyl)thio]ethyl ester IUPAC Name: 2-(2,5-dichlorophenyl)sulfanylethyl N'-tert-butylcarbamimidothioate Traditional Name: 3-tert-butyl-2-[2-[(2,5-dichlorophenyl)thio]ethyl]isothiourea Formula: C13H18Cl2N2S2 MolecularWeight: 337.33142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(N)SCCSC1=C(C=CC(=C1)Cl)Cl

Isomeric SMILES

CC(C)(C)N=C(N)SCCSC1=C(C=CC(=C1)Cl)Cl

InChI

InChI=1S/C13H18Cl2N2S2/c1-13(2,3)17-12(16)19-7-6-18-11-8-9(14)4-5-10(11)15/h4-5,8H,6-7H2,1-3H3,(H2,16,17)