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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-phenoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-phenoxyphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-phenoxyphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-phenoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-homoveratryl-3-(4-phenoxyphenyl)-1-(3-pyridylmethyl)thiourea Formula: C29H29N3O3S MolecularWeight: 499.62386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(CC2=CN=CC=C2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(CC2=CN=CC=C2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4)OC

InChI

InChI=1S/C29H29N3O3S/c1-33-27-15-10-22(19-28(27)34-2)16-18-32(21-23-7-6-17-30-20-23)29(36)31-24-11-13-26(14-12-24)35-25-8-4-3-5-9-25/h3-15,17,19-20H,16,18,21H2,1-2H3,(H,31,36)