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

Systemtic Name: 2-[[(2-fluorophenyl)carbamoyl-propan-2-yl-amino]methyl]-N-hexyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(2-fluorophenyl)carbamoyl-isopropyl-amino]methyl]-N-hexyl-thiazole-4-carboxamide CAS Name: 2-[[[(2-fluoroanilino)-oxomethyl]-propan-2-ylamino]methyl]-N-hexyl-4-thiazolecarboxamide IUPAC Name: 2-[[(2-fluorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-hexyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(2-fluorophenyl)carbamoyl-isopropyl-amino]methyl]-N-hexyl-thiazole-4-carboxamide Formula: C21H29FN4O2S MolecularWeight: 420.543963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29FN4O2S/c1-4-5-6-9-12-23-20(27)18-14-29-19(24-18)13-26(15(2)3)21(28)25-17-11-8-7-10-16(17)22/h7-8,10-11,14-15H,4-6,9,12-13H2,1-3H3,(H,23,27)(H,25,28)