3-(3,5-dimethoxyphenyl)-1-(phenylmethyl)-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 3-(3,5-dimethoxyphenyl)-1-(phenylmethyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 1-benzyl-3-(3,5-dimethoxyphenyl)-1-(4-pyridylmethyl)thiourea CAS Name: 3-(3,5-dimethoxyphenyl)-1-(phenylmethyl)-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 1-benzyl-3-(3,5-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 1-benzyl-3-(3,5-dimethoxyphenyl)-1-(4-pyridylmethyl)thiourea Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2S/c1-26-20-12-19(13-21(14-20)27-2)24-22(28)25(15-17-6-4-3-5-7-17)16-18-8-10-23-11-9-18/h3-14H,15-16H2,1-2H3,(H,24,28)