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

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Openeye Name: 2-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-3-[(1R)-1-phenylethyl]isothiourea CAS Name: N'-[(1R)-1-phenylethyl]carbamimidothioic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl N'-[(1R)-1-phenylethyl]carbamimidothioate Traditional Name: 2-(2-bromo-4,5-dimethoxy-benzyl)-3-[(1R)-1-phenylethyl]isothiourea Formula: C18H21BrN2O2S MolecularWeight: 409.34054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N=C(N)SCC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N=C(N)SCC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C18H21BrN2O2S/c1-12(13-7-5-4-6-8-13)21-18(20)24-11-14-9-16(22-2)17(23-3)10-15(14)19/h4-10,12H,11H2,1-3H3,(H2,20,21)/t12-/m1/s1