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

Systemtic Name: 4-methyl-N-[[2-methyl-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[[2-methyl-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[[2-methyl-5-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[[2-methyl-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[5-(2-ketochromen-3-yl)-2-methyl-phenyl]thiocarbamoyl]-4-methyl-3-nitro-benzamide Formula: C25H19N3O5S MolecularWeight: 473.50046

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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)C)[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)C)[N+](=O)[O-]

InChI

InChI=1S/C25H19N3O5S/c1-14-7-9-16(19-11-17-5-3-4-6-22(17)33-24(19)30)12-20(14)26-25(34)27-23(29)18-10-8-15(2)21(13-18)28(31)32/h3-13H,1-2H3,(H2,26,27,29,34)