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

Systemtic Name: 3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-yl-amino]-N-phenethyl-propanamide Openeye Name: 3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-isopropyl-amino]-N-phenethyl-propanamide CAS Name: 3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-phenethylpropanamide IUPAC Name: 3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-phenethylpropanamide Traditional Name: 3-[[3-(4-fluorobenzyl)-1,2,4-thiadiazol-5-yl]-isopropyl-amino]-N-phenethyl-propionamide Formula: C23H27FN4OS MolecularWeight: 426.550083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCC(=O)NCCC1=CC=CC=C1)C2=NC(=NS2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)N(CCC(=O)NCCC1=CC=CC=C1)C2=NC(=NS2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C23H27FN4OS/c1-17(2)28(15-13-22(29)25-14-12-18-6-4-3-5-7-18)23-26-21(27-30-23)16-19-8-10-20(24)11-9-19/h3-11,17H,12-16H2,1-2H3,(H,25,29)