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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl N'-propan-2-ylcarbamimidothioate Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-isopropyl-isothiourea CAS Name: N'-propan-2-ylcarbamimidothioic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl N'-propan-2-ylcarbamimidothioate Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-isopropyl-isothiourea Formula: C13H17ClN2O2S MolecularWeight: 300.80428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2O2S/c1-8(2)16-13(15)19-6-10-4-11(14)3-9-5-17-7-18-12(9)10/h3-4,8H,5-7H2,1-2H3,(H2,15,16)