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

Systemtic Name: N-[[5-(1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[5-(1,3-benzoxazol-2-yl)-2-chloro-phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[5-(1,3-benzoxazol-2-yl)-2-chloroanilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[5-(1,3-benzoxazol-2-yl)-2-chloro-phenyl]thiocarbamoyl]-2-nitro-benzamide Formula: C21H13ClN4O4S MolecularWeight: 452.87032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4O3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4O3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H13ClN4O4S/c22-14-10-9-12(20-23-15-6-2-4-8-18(15)30-20)11-16(14)24-21(31)25-19(27)13-5-1-3-7-17(13)26(28)29/h1-11H,(H2,24,25,27,31)