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

Systemtic Name: N-[[3-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C23H17ClN4O5S MolecularWeight: 496.92288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C23H17ClN4O5S/c1-2-32-20-8-6-13(11-18(20)28(30)31)21(29)27-23(34)25-16-5-3-4-14(10-16)22-26-17-12-15(24)7-9-19(17)33-22/h3-12H,2H2,1H3,(H2,25,27,29,34)