N-[[2-methyl-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[[2-methyl-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[2-methyl-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[2-methyl-5-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[2-methyl-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[5-(2-ketochromen-3-yl)-2-methyl-phenyl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C28H24N4O6S MolecularWeight: 544.57836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C28H24N4O6S/c1-17-6-7-18(21-14-19-4-2-3-5-25(19)38-27(21)34)15-22(17)29-28(39)30-26(33)20-8-9-23(24(16-20)32(35)36)31-10-12-37-13-11-31/h2-9,14-16H,10-13H2,1H3,(H2,29,30,33,39)