N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[3-[(tert-butylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[3-(tert-butylcarbamoyl)phenyl]thiocarbamoyl]-2-nitro-benzamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S/c1-19(2,3)22-16(24)12-7-6-8-13(11-12)20-18(28)21-17(25)14-9-4-5-10-15(14)23(26)27/h4-11H,1-3H3,(H,22,24)(H2,20,21,25,28)