1-[(3,4-dimethoxyphenyl)methyl]-3-phenethyl-1-(pyridin-3-ylmethyl)thiourea; ethanedioic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-phenethyl-1-(pyridin-3-ylmethyl)thiourea; ethanedioic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-phenethyl-1-(3-pyridylmethyl)thiourea; oxalic acid CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-phenethyl-1-(3-pyridinylmethyl)thiourea; oxalic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-phenethyl-1-(pyridin-3-ylmethyl)thiourea; oxalic acid Traditional Name: oxalic acid; 3-phenethyl-1-(3-pyridylmethyl)-1-veratryl-thiourea Formula: C26H29N3O6S MolecularWeight: 511.58996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NCCC3=CC=CC=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NCCC3=CC=CC=C3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H27N3O2S.C2H2O4/c1-28-22-11-10-20(15-23(22)29-2)17-27(18-21-9-6-13-25-16-21)24(30)26-14-12-19-7-4-3-5-8-19;3-1(4)2(5)6/h3-11,13,15-16H,12,14,17-18H2,1-2H3,(H,26,30);(H,3,4)(H,5,6)