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

Systemtic Name: N-[[2-methoxy-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[2-methoxy-5-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[[5-(2-ketochromen-3-yl)-2-methoxy-phenyl]thiocarbamoyl]-4-methyl-3-nitro-benzamide Formula: C25H19N3O6S MolecularWeight: 489.49986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=CC4=CC=CC=C4OC3=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=CC4=CC=CC=C4OC3=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C25H19N3O6S/c1-14-7-8-17(13-20(14)28(31)32)23(29)27-25(35)26-19-12-15(9-10-22(19)33-2)18-11-16-5-3-4-6-21(16)34-24(18)30/h3-13H,1-2H3,(H2,26,27,29,35)