N-[[3-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[[3-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C22H15ClN4O5S MolecularWeight: 482.8963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC(=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC(=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H15ClN4O5S/c1-31-19-7-5-12(10-17(19)27(29)30)20(28)26-22(33)24-15-4-2-3-13(9-15)21-25-16-11-14(23)6-8-18(16)32-21/h2-11H,1H3,(H2,24,26,28,33)