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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-(pyridin-3-ylmethyl)thiourea; ethanedioic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-(3-pyridylmethyl)thiourea; oxalic acid CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-(3-pyridinylmethyl)thiourea; oxalic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-(pyridin-3-ylmethyl)thiourea; oxalic acid Traditional Name: 3-ethyl-1-(3-pyridylmethyl)-1-veratryl-thiourea; oxalic acid Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N(CC1=CC(=C(C=C1)OC)OC)CC2=CN=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCNC(=S)N(CC1=CC(=C(C=C1)OC)OC)CC2=CN=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23N3O2S.C2H2O4/c1-4-20-18(24)21(13-15-6-5-9-19-11-15)12-14-7-8-16(22-2)17(10-14)23-3;3-1(4)2(5)6/h5-11H,4,12-13H2,1-3H3,(H,20,24);(H,3,4)(H,5,6)