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

Systemtic Name: N-[[3-methyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[3-methyl-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[3-methyl-4-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[3-methyl-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[4-(2-ketochromen-3-yl)-3-methyl-phenyl]thiocarbamoyl]-4-nitro-benzamide Formula: C24H17N3O5S MolecularWeight: 459.47388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C24H17N3O5S/c1-14-12-17(25-24(33)26-22(28)15-6-9-18(10-7-15)27(30)31)8-11-19(14)20-13-16-4-2-3-5-21(16)32-23(20)29/h2-13H,1H3,(H2,25,26,28,33)