(2-bromanyl-4,5-dimethoxy-phenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Openeye Name: 2-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-3-[(1S)-1-methylpropyl]isothiourea CAS Name: N'-[(2S)-butan-2-yl]carbamimidothioic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Traditional Name: 2-(2-bromo-4,5-dimethoxy-benzyl)-3-[(1S)-1-methylpropyl]isothiourea Formula: C14H21BrN2O2S MolecularWeight: 361.29774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21BrN2O2S/c1-5-9(2)17-14(16)20-8-10-6-12(18-3)13(19-4)7-11(10)15/h6-7,9H,5,8H2,1-4H3,(H2,16,17)/t9-/m0/s1