2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(phenylmethyl)amino]-N-phenethyl-ethanamide

Systemtic Name: 2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(phenylmethyl)amino]-N-phenethyl-ethanamide Openeye Name: 2-[benzyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-phenethyl-acetamide CAS Name: 2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-(phenylmethyl)amino]-N-phenethylacetamide IUPAC Name: 2-[benzyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-phenethylacetamide Traditional Name: 2-[benzyl-[3-(4-fluorobenzyl)-1,2,4-thiadiazol-5-yl]amino]-N-phenethyl-acetamide Formula: C26H25FN4OS MolecularWeight: 460.566303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CN(CC2=CC=CC=C2)C3=NC(=NS3)CC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CN(CC2=CC=CC=C2)C3=NC(=NS3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C26H25FN4OS/c27-23-13-11-21(12-14-23)17-24-29-26(33-30-24)31(18-22-9-5-2-6-10-22)19-25(32)28-16-15-20-7-3-1-4-8-20/h1-14H,15-19H2,(H,28,32)