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

Systemtic Name: 3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-yl-amino]-N-hexyl-propanamide Openeye Name: 3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-isopropyl-amino]-N-hexyl-propanamide CAS Name: 3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-hexylpropanamide IUPAC Name: 3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-hexylpropanamide Traditional Name: 3-[[3-(4-fluorobenzyl)-1,2,4-thiadiazol-5-yl]-isopropyl-amino]-N-hexyl-propionamide Formula: C21H31FN4OS MolecularWeight: 406.560443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CCN(C1=NC(=NS1)CC2=CC=C(C=C2)F)C(C)C

Isomeric SMILES

CCCCCCNC(=O)CCN(C1=NC(=NS1)CC2=CC=C(C=C2)F)C(C)C

InChI

InChI=1S/C21H31FN4OS/c1-4-5-6-7-13-23-20(27)12-14-26(16(2)3)21-24-19(25-28-21)15-17-8-10-18(22)11-9-17/h8-11,16H,4-7,12-15H2,1-3H3,(H,23,27)