(4-bromophenyl)methyl N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate

Systemtic Name: (4-bromophenyl)methyl N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate Openeye Name: 2-[(4-bromophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]isothiourea CAS Name: N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate Traditional Name: 2-(4-bromobenzyl)-3-homoveratryl-isothiourea Formula: C18H21BrN2O2S MolecularWeight: 409.34054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN=C(N)SCC2=CC=C(C=C2)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN=C(N)SCC2=CC=C(C=C2)Br)OC

InChI

InChI=1S/C18H21BrN2O2S/c1-22-16-8-5-13(11-17(16)23-2)9-10-21-18(20)24-12-14-3-6-15(19)7-4-14/h3-8,11H,9-10,12H2,1-2H3,(H2,20,21)