(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl N'-tert-butylcarbamimidothioate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl N'-tert-butylcarbamimidothioate Openeye Name: 3-tert-butyl-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]isothiourea CAS Name: N'-tert-butylcarbamimidothioic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl N'-tert-butylcarbamimidothioate Traditional Name: 3-tert-butyl-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]isothiourea Formula: C14H19ClN2O2S MolecularWeight: 314.83086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(N)SCC1=C2C(=CC(=C1)Cl)COCO2

Isomeric SMILES

CC(C)(C)N=C(N)SCC1=C2C(=CC(=C1)Cl)COCO2

InChI

InChI=1S/C14H19ClN2O2S/c1-14(2,3)17-13(16)20-7-10-5-11(15)4-9-6-18-8-19-12(9)10/h4-5H,6-8H2,1-3H3,(H2,16,17)