3-(4-bromophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)thiourea

Systemtic Name: 3-(4-bromophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)thiourea Openeye Name: 3-(4-bromophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-1-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 3-(4-bromophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-1-(2-oxolanylmethyl)thiourea IUPAC Name: 3-(4-bromophenyl)-1-[(2,5-dimethoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)thiourea Traditional Name: 3-(4-bromophenyl)-1-(2,5-dimethoxybenzyl)-1-(tetrahydrofurfuryl)thiourea Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN(CC2CCCO2)C(=S)NC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN(CC2CCCO2)C(=S)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN2O3S/c1-25-18-9-10-20(26-2)15(12-18)13-24(14-19-4-3-11-27-19)21(28)23-17-7-5-16(22)6-8-17/h5-10,12,19H,3-4,11,13-14H2,1-2H3,(H,23,28)