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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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