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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl N'-[(2-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-[(2-methoxyphenyl)methyl]isothiourea CAS Name: N'-[(2-methoxyphenyl)methyl]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-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-3-o-anisyl-isothiourea Formula: C18H19ClN2O3S MolecularWeight: 378.87306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN=C(N)SCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

COC1=CC=CC=C1CN=C(N)SCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C18H19ClN2O3S/c1-22-16-5-3-2-4-12(16)8-21-18(20)25-10-14-7-15(19)6-13-9-23-11-24-17(13)14/h2-7H,8-11H2,1H3,(H2,20,21)