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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl N'-(3-methylbutyl)carbamimidothioate Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-isopentyl-isothiourea CAS Name: N'-(3-methylbutyl)carbamimidothioic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl N'-(3-methylbutyl)carbamimidothioate Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-isoamyl-isothiourea Formula: C15H21ClN2O2S MolecularWeight: 328.85744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClN2O2S/c1-10(2)3-4-18-15(17)21-8-12-6-13(16)5-11-7-19-9-20-14(11)12/h5-6,10H,3-4,7-9H2,1-2H3,(H2,17,18)