3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea

Systemtic Name: 3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea Openeye Name: 3-(4-ethoxyphenyl)-1-(3-pyridylmethyl)-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea CAS Name: 3-(4-ethoxyphenyl)-1-(3-pyridinylmethyl)-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea IUPAC Name: 3-(4-ethoxyphenyl)-1-(pyridin-3-ylmethyl)-1-[(2,3,4-trimethoxyphenyl)methyl]thiourea Traditional Name: 3-p-phenetyl-1-(3-pyridylmethyl)-1-(2,3,4-trimethoxybenzyl)thiourea Formula: C25H29N3O4S MolecularWeight: 467.58046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N(CC2=CN=CC=C2)CC3=C(C(=C(C=C3)OC)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N(CC2=CN=CC=C2)CC3=C(C(=C(C=C3)OC)OC)OC

InChI

InChI=1S/C25H29N3O4S/c1-5-32-21-11-9-20(10-12-21)27-25(33)28(16-18-7-6-14-26-15-18)17-19-8-13-22(29-2)24(31-4)23(19)30-3/h6-15H,5,16-17H2,1-4H3,(H,27,33)