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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=NCC)SCC1=C2C(=CC(=C1)Cl)COCO2

Isomeric SMILES

CCNC(=NCC)SCC1=C2C(=CC(=C1)Cl)COCO2

InChI

InChI=1S/C14H19ClN2O2S/c1-3-16-14(17-4-2)20-8-11-6-12(15)5-10-7-18-9-19-13(10)11/h5-6H,3-4,7-9H2,1-2H3,(H,16,17)