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

Systemtic Name: 3-(2,4-dimethoxyphenyl)-1-(pyridin-3-ylmethyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-(2,4-dimethoxyphenyl)-1-(3-pyridylmethyl)-1-(4-pyridylmethyl)thiourea CAS Name: 3-(2,4-dimethoxyphenyl)-1-(3-pyridinylmethyl)-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-(2,4-dimethoxyphenyl)-1-(pyridin-3-ylmethyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-(2,4-dimethoxyphenyl)-1-(3-pyridylmethyl)-1-(4-pyridylmethyl)thiourea Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)N(CC2=CC=NC=C2)CC3=CN=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)N(CC2=CC=NC=C2)CC3=CN=CC=C3)OC

InChI

InChI=1S/C21H22N4O2S/c1-26-18-5-6-19(20(12-18)27-2)24-21(28)25(14-16-7-10-22-11-8-16)15-17-4-3-9-23-13-17/h3-13H,14-15H2,1-2H3,(H,24,28)