3-(2,4-dimethoxyphenyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 3-(2,4-dimethoxyphenyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-(2,4-dimethoxyphenyl)-1-(4-pyridylmethyl)-1-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 3-(2,4-dimethoxyphenyl)-1-(2-oxolanylmethyl)-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-(2,4-dimethoxyphenyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-(2,4-dimethoxyphenyl)-1-(4-pyridylmethyl)-1-(tetrahydrofurfuryl)thiourea Formula: C20H25N3O3S MolecularWeight: 387.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)N(CC2CCCO2)CC3=CC=NC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)N(CC2CCCO2)CC3=CC=NC=C3)OC

InChI

InChI=1S/C20H25N3O3S/c1-24-16-5-6-18(19(12-16)25-2)22-20(27)23(14-17-4-3-11-26-17)13-15-7-9-21-10-8-15/h5-10,12,17H,3-4,11,13-14H2,1-2H3,(H,22,27)