2-[[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl-propyl-amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl-propyl-amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(3-chloro-4-fluoro-phenyl)carbamoyl-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide CAS Name: 2-[[[(3-chloro-4-fluoroanilino)-oxomethyl]-propylamino]methyl]-N-propyl-4-thiazolecarboxamide IUPAC Name: 2-[[(3-chloro-4-fluorophenyl)carbamoyl-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(3-chloro-4-fluoro-phenyl)carbamoyl-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide Formula: C18H22ClFN4O2S MolecularWeight: 412.909283

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CSC(=N1)CN(CCC)C(=O)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCCNC(=O)C1=CSC(=N1)CN(CCC)C(=O)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C18H22ClFN4O2S/c1-3-7-21-17(25)15-11-27-16(23-15)10-24(8-4-2)18(26)22-12-5-6-14(20)13(19)9-12/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,21,25)(H,22,26)