4-azanyl-N5-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N3-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N3-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N3-benzyl-N5-[(3-chloro-4-fluoro-phenyl)methyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[(3-chloro-4-fluorophenyl)methyl]-N3-(phenylmethyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-3-N-benzyl-5-N-[(3-chloro-4-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N-benzyl-N'-(3-chloro-4-fluoro-benzyl)isothiazole-3,5-dicarboxamide Formula: C19H16ClFN4O2S MolecularWeight: 418.872343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=NSC(=C2N)C(=O)NCC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=NSC(=C2N)C(=O)NCC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H16ClFN4O2S/c20-13-8-12(6-7-14(13)21)10-24-19(27)17-15(22)16(25-28-17)18(26)23-9-11-4-2-1-3-5-11/h1-8H,9-10,22H2,(H,23,26)(H,24,27)