N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[3-[(2,2-dimethyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-nitrobenzamide Traditional Name: 4-nitro-N-[[3-(pivaloylamino)phenyl]thiocarbamoyl]benzamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

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