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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl N'-methylcarbamimidothioate Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-methyl-isothiourea CAS Name: N'-methylcarbamimidothioic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl N'-methylcarbamimidothioate Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-methyl-isothiourea Formula: C11H13ClN2O2S MolecularWeight: 272.75112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClN2O2S/c1-14-11(13)17-5-8-3-9(12)2-7-4-15-6-16-10(7)8/h2-3H,4-6H2,1H3,(H2,13,14)