(2-bromanyl-4,5-dimethoxy-phenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=C(N)SCC2=CC(=C(C=C2Br)OC)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)N=C(N)SCC2=CC(=C(C=C2Br)OC)OC)C

InChI

InChI=1S/C18H21BrN2O2S/c1-11-5-6-14(7-12(11)2)21-18(20)24-10-13-8-16(22-3)17(23-4)9-15(13)19/h5-9H,10H2,1-4H3,(H2,20,21)