2-chloranyl-N-[(2,5-diethoxy-4-morpholin-4-yl-phenyl)carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: 2-chloranyl-N-[(2,5-diethoxy-4-morpholin-4-yl-phenyl)carbamothioyl]-4-fluoranyl-benzamide Openeye Name: 2-chloro-N-[(2,5-diethoxy-4-morpholino-phenyl)carbamothioyl]-4-fluoro-benzamide CAS Name: 2-chloro-N-[[2,5-diethoxy-4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: 2-chloro-N-[(2,5-diethoxy-4-morpholin-4-ylphenyl)carbamothioyl]-4-fluorobenzamide Traditional Name: 2-chloro-N-[(2,5-diethoxy-4-morpholino-phenyl)thiocarbamoyl]-4-fluoro-benzamide Formula: C22H25ClFN3O4S MolecularWeight: 481.968003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=S)NC(=O)C3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=S)NC(=O)C3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C22H25ClFN3O4S/c1-3-30-19-13-18(27-7-9-29-10-8-27)20(31-4-2)12-17(19)25-22(32)26-21(28)15-6-5-14(24)11-16(15)23/h5-6,11-13H,3-4,7-10H2,1-2H3,(H2,25,26,28,32)