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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl N'-ethylcarbamimidothioate Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-ethyl-isothiourea CAS Name: N'-ethylcarbamimidothioic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl N'-ethylcarbamimidothioate Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-ethyl-isothiourea Formula: C12H15ClN2O2S MolecularWeight: 286.7777

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN2O2S/c1-2-15-12(14)18-6-9-4-10(13)3-8-5-16-7-17-11(8)9/h3-4H,2,5-7H2,1H3,(H2,14,15)