N-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide

Systemtic Name: N-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide Openeye Name: N-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide CAS Name: N-[5-[[(4-fluorophenyl)methylamino]-oxomethyl]-2-methylphenyl]-1,2-benzothiazole-3-carboxamide IUPAC Name: N-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylphenyl]-1,2-benzothiazole-3-carboxamide Traditional Name: N-[5-[(4-fluorobenzyl)carbamoyl]-2-methyl-phenyl]-1,2-benzothiazole-3-carboxamide Formula: C23H18FN3O2S MolecularWeight: 419.471323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C3=NSC4=CC=CC=C43

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C23H18FN3O2S/c1-14-6-9-16(22(28)25-13-15-7-10-17(24)11-8-15)12-19(14)26-23(29)21-18-4-2-3-5-20(18)30-27-21/h2-12H,13H2,1H3,(H,25,28)(H,26,29)