(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl N'-prop-2-enylcarbamimidothioate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl N'-prop-2-enylcarbamimidothioate Openeye Name: 3-allyl-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]isothiourea CAS Name: N'-prop-2-enylcarbamimidothioic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl N'-prop-2-enylcarbamimidothioate Traditional Name: 3-allyl-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]isothiourea Formula: C13H15ClN2O2S MolecularWeight: 298.7884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O2S/c1-2-3-16-13(15)19-7-10-5-11(14)4-9-6-17-8-18-12(9)10/h2,4-5H,1,3,6-8H2,(H2,15,16)