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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl N'-cyclopentylcarbamimidothioate Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-cyclopentyl-isothiourea CAS Name: N'-cyclopentylcarbamimidothioic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl N'-cyclopentylcarbamimidothioate Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-cyclopentyl-isothiourea Formula: C15H19ClN2O2S MolecularWeight: 326.84156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N=C(N)SCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

C1CCC(C1)N=C(N)SCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C15H19ClN2O2S/c16-12-5-10-7-19-9-20-14(10)11(6-12)8-21-15(17)18-13-3-1-2-4-13/h5-6,13H,1-4,7-9H2,(H2,17,18)