N-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(2-bromo-4,6-difluoro-phenyl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[(2-bromo-4,6-difluoroanilino)-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(2-bromo-4,6-difluorophenyl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(2-bromo-4,6-difluoro-phenyl)thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C18H15BrF2N4O4S MolecularWeight: 501.301906

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3Br)F)F)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=C(C=C3Br)F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H15BrF2N4O4S/c19-12-8-11(20)9-13(21)16(12)22-18(30)23-17(26)10-1-2-14(15(7-10)25(27)28)24-3-5-29-6-4-24/h1-2,7-9H,3-6H2,(H2,22,23,26,30)