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

Systemtic Name: N-[[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-nitro-benzamide Formula: C21H12Cl2N4O4S MolecularWeight: 487.31538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H12Cl2N4O4S/c22-14-7-5-11(9-15(14)23)20-25-16-10-12(6-8-18(16)31-20)24-21(32)26-19(28)13-3-1-2-4-17(13)27(29)30/h1-10H,(H2,24,26,28,32)