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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl N'-(2-methylpropyl)carbamimidothioate Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-isobutyl-isothiourea CAS Name: N'-(2-methylpropyl)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-methylpropyl)carbamimidothioate Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-isobutyl-isothiourea Formula: C14H19ClN2O2S MolecularWeight: 314.83086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN2O2S/c1-9(2)5-17-14(16)20-7-11-4-12(15)3-10-6-18-8-19-13(10)11/h3-4,9H,5-8H2,1-2H3,(H2,16,17)