phenethyl N'-(furan-2-ylmethyl)-N,N-bis(phenylmethyl)carbamimidothioate hydrobromide

Systemtic Name: phenethyl N'-(furan-2-ylmethyl)-N,N-bis(phenylmethyl)carbamimidothioate hydrobromide Openeye Name: 1,1-dibenzyl-3-(2-furylmethyl)-2-phenethyl-isothiourea hydrobromide CAS Name: N'-(2-furanylmethyl)-N,N-bis(phenylmethyl)carbamimidothioic acid phenethyl ester hydrobromide IUPAC Name: phenethyl N,N-dibenzyl-N'-(furan-2-ylmethyl)carbamimidothioate hydrobromide Traditional Name: 1,1-dibenzyl-3-(2-furfuryl)-2-phenethyl-isothiourea hydrobromide Formula: C28H29BrN2OS MolecularWeight: 521.51166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC(=NCC2=CC=CO2)N(CC3=CC=CC=C3)CC4=CC=CC=C4.Br

Isomeric SMILES

C1=CC=C(C=C1)CCSC(=NCC2=CC=CO2)N(CC3=CC=CC=C3)CC4=CC=CC=C4.Br

InChI

InChI=1S/C28H28N2OS.BrH/c1-4-11-24(12-5-1)18-20-32-28(29-21-27-17-10-19-31-27)30(22-25-13-6-2-7-14-25)23-26-15-8-3-9-16-26;/h1-17,19H,18,20-23H2;1H