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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl N'-methylcarbamimidothioate hydrochloride Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-methyl-isothiourea hydrochloride CAS Name: N'-methylcarbamimidothioic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester hydrochloride IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl N'-methylcarbamimidothioate hydrochloride Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-methyl-isothiourea hydrochloride Formula: C11H14Cl2N2O2S MolecularWeight: 309.21206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClN2O2S.ClH/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);1H