(2-bromanyl-4,5-dimethoxy-phenyl)methyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate Openeye Name: 2-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-3-[(1R)-2-methoxy-1-methyl-ethyl]isothiourea CAS Name: N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate Traditional Name: 2-(2-bromo-4,5-dimethoxy-benzyl)-3-[(1R)-2-methoxy-1-methyl-ethyl]isothiourea Formula: C14H21BrN2O3S MolecularWeight: 377.29714

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)N=C(N)SCC1=CC(=C(C=C1Br)OC)OC

Isomeric SMILES

C[C@H](COC)N=C(N)SCC1=CC(=C(C=C1Br)OC)OC

InChI

InChI=1S/C14H21BrN2O3S/c1-9(7-18-2)17-14(16)21-8-10-5-12(19-3)13(20-4)6-11(10)15/h5-6,9H,7-8H2,1-4H3,(H2,16,17)/t9-/m1/s1