3-(4-bromophenyl)-1-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)thiourea

Systemtic Name: 3-(4-bromophenyl)-1-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)thiourea Openeye Name: 3-(4-bromophenyl)-1-[(4-ethoxyphenyl)methyl]-1-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 3-(4-bromophenyl)-1-[(4-ethoxyphenyl)methyl]-1-(2-oxolanylmethyl)thiourea IUPAC Name: 3-(4-bromophenyl)-1-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)thiourea Traditional Name: 3-(4-bromophenyl)-1-(4-ethoxybenzyl)-1-(tetrahydrofurfuryl)thiourea Formula: C21H25BrN2O2S MolecularWeight: 449.4044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(CC2CCCO2)C(=S)NC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(CC2CCCO2)C(=S)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN2O2S/c1-2-25-19-11-5-16(6-12-19)14-24(15-20-4-3-13-26-20)21(27)23-18-9-7-17(22)8-10-18/h5-12,20H,2-4,13-15H2,1H3,(H,23,27)