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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=CC=C4[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=CC=C4[N+](=O)[O-])Cl

InChI

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