(2-bromanyl-4,5-dimethoxy-phenyl)methyl N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioate

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioate Openeye Name: 2-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)isothiourea CAS Name: N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl N'-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamimidothioate Traditional Name: 2-(2-bromo-4,5-dimethoxy-benzyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)isothiourea Formula: C18H19BrN2O4S MolecularWeight: 439.32346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC(=NC2=CC3=C(C=C2)OCCO3)N)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC(=NC2=CC3=C(C=C2)OCCO3)N)Br)OC

InChI

InChI=1S/C18H19BrN2O4S/c1-22-15-7-11(13(19)9-16(15)23-2)10-26-18(20)21-12-3-4-14-17(8-12)25-6-5-24-14/h3-4,7-9H,5-6,10H2,1-2H3,(H2,20,21)