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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl N'-(2-methoxyethyl)carbamimidothioate Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-(2-methoxyethyl)isothiourea CAS Name: N'-(2-methoxyethyl)carbamimidothioic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl N'-(2-methoxyethyl)carbamimidothioate Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-(2-methoxyethyl)isothiourea Formula: C13H17ClN2O3S MolecularWeight: 316.80368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2O3S/c1-17-3-2-16-13(15)20-7-10-5-11(14)4-9-6-18-8-19-12(9)10/h4-5H,2-3,6-8H2,1H3,(H2,15,16)