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

Systemtic Name: N-[[2-methyl-5-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[2-methyl-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[2-methyl-5-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[2-methyl-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[5-(2-ketochromen-3-yl)-2-methyl-phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C24H17N3O5S MolecularWeight: 459.47388

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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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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