1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethylphenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethylphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethylphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethylphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethylphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(2-ethylphenyl)-1-homoveratryl-1-(3-pyridylmethyl)thiourea Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CCC2=CC(=C(C=C2)OC)OC)CC3=CN=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CCC2=CC(=C(C=C2)OC)OC)CC3=CN=CC=C3

InChI

InChI=1S/C25H29N3O2S/c1-4-21-9-5-6-10-22(21)27-25(31)28(18-20-8-7-14-26-17-20)15-13-19-11-12-23(29-2)24(16-19)30-3/h5-12,14,16-17H,4,13,15,18H2,1-3H3,(H,27,31)