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

Systemtic Name: N-butyl-2-[[(2-fluorophenyl)carbamoyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-butyl-2-[[(2-fluorophenyl)carbamoyl-isopropyl-amino]methyl]thiazole-4-carboxamide CAS Name: N-butyl-2-[[[(2-fluoroanilino)-oxomethyl]-propan-2-ylamino]methyl]-4-thiazolecarboxamide IUPAC Name: N-butyl-2-[[(2-fluorophenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-butyl-2-[[(2-fluorophenyl)carbamoyl-isopropyl-amino]methyl]thiazole-4-carboxamide Formula: C19H25FN4O2S MolecularWeight: 392.490803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25FN4O2S/c1-4-5-10-21-18(25)16-12-27-17(22-16)11-24(13(2)3)19(26)23-15-9-7-6-8-14(15)20/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,25)(H,23,26)