ethyl N'-(2-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate

Systemtic Name: ethyl N'-(2-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Openeye Name: 3-(2-bromophenyl)-2-ethyl-1,1-bis[(4-methoxyphenyl)methyl]isothiourea CAS Name: N'-(2-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-(2-bromophenyl)-N,N-bis[(4-methoxyphenyl)methyl]carbamimidothioate Traditional Name: 3-(2-bromophenyl)-2-ethyl-1,1-bis(p-anisyl)isothiourea Formula: C25H27BrN2O2S MolecularWeight: 499.46308

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC=CC=C1Br)N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCSC(=NC1=CC=CC=C1Br)N(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C25H27BrN2O2S/c1-4-31-25(27-24-8-6-5-7-23(24)26)28(17-19-9-13-21(29-2)14-10-19)18-20-11-15-22(30-3)16-12-20/h5-16H,4,17-18H2,1-3H3