2-[[(2-fluorophenyl)carbamoyl-propan-2-yl-amino]methyl]-N-pentyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[(2-fluorophenyl)carbamoyl-propan-2-yl-amino]methyl]-N-pentyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(2-fluorophenyl)carbamoyl-isopropyl-amino]methyl]-N-pentyl-thiazole-4-carboxamide CAS Name: 2-[[[(2-fluoroanilino)-oxomethyl]-propan-2-ylamino]methyl]-N-pentyl-4-thiazolecarboxamide IUPAC Name: 2-[[(2-fluorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-pentyl-1,3-thiazole-4-carboxamide Traditional Name: N-amyl-2-[[(2-fluorophenyl)carbamoyl-isopropyl-amino]methyl]thiazole-4-carboxamide Formula: C20H27FN4O2S MolecularWeight: 406.517383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)NC2=CC=CC=C2F

Isomeric SMILES

CCCCCNC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)NC2=CC=CC=C2F

InChI

InChI=1S/C20H27FN4O2S/c1-4-5-8-11-22-19(26)17-13-28-18(23-17)12-25(14(2)3)20(27)24-16-10-7-6-9-15(16)21/h6-7,9-10,13-14H,4-5,8,11-12H2,1-3H3,(H,22,26)(H,24,27)