5-[[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-[[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-[[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[[(4-ethoxy-3-methoxy-benzyl)-ethyl-amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide Formula: C22H25FN4O3S MolecularWeight: 444.522303

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OCC)OC)CC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OCC)OC)CC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN4O3S/c1-4-27(13-15-6-11-18(30-5-2)19(12-15)29-3)14-20-25-26-22(31-20)21(28)24-17-9-7-16(23)8-10-17/h6-12H,4-5,13-14H2,1-3H3,(H,24,28)