N-[[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[3-chloro-4-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[3-chloro-4-(2-ketochromen-3-yl)phenyl]thiocarbamoyl]-4-fluoro-benzamide Formula: C23H14ClFN2O3S MolecularWeight: 452.885263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C23H14ClFN2O3S/c24-19-12-16(26-23(31)27-21(28)13-5-7-15(25)8-6-13)9-10-17(19)18-11-14-3-1-2-4-20(14)30-22(18)29/h1-12H,(H2,26,27,28,31)