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

Systemtic Name: N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[3-[diethylamino(oxo)methyl]anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[3-(diethylcarbamoyl)phenyl]thiocarbamoyl]-2-nitro-benzamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4S/c1-3-22(4-2)18(25)13-8-7-9-14(12-13)20-19(28)21-17(24)15-10-5-6-11-16(15)23(26)27/h5-12H,3-4H2,1-2H3,(H2,20,21,24,28)