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

Systemtic Name: N-[[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[3-chloro-4-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[3-chloro-4-(2-ketochromen-3-yl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C23H14ClN3O5S MolecularWeight: 479.89236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H14ClN3O5S/c24-19-12-15(25-23(33)26-21(28)14-5-3-6-16(10-14)27(30)31)8-9-17(19)18-11-13-4-1-2-7-20(13)32-22(18)29/h1-12H,(H2,25,26,28,33)