2-(4-chlorophenyl)sulfanylethyl N'-tert-butylcarbamimidothioate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl N'-tert-butylcarbamimidothioate Openeye Name: 3-tert-butyl-2-[2-(4-chlorophenyl)sulfanylethyl]isothiourea CAS Name: N'-tert-butylcarbamimidothioic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl N'-tert-butylcarbamimidothioate Traditional Name: 3-tert-butyl-2-[2-[(4-chlorophenyl)thio]ethyl]isothiourea Formula: C13H19ClN2S2 MolecularWeight: 302.88636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19ClN2S2/c1-13(2,3)16-12(15)18-9-8-17-11-6-4-10(14)5-7-11/h4-7H,8-9H2,1-3H3,(H2,15,16)