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

Systemtic Name: N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[3-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[3-(isobutyrylamino)phenyl]thiocarbamoyl]-2-nitro-benzamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O4S/c1-11(2)16(23)19-12-6-5-7-13(10-12)20-18(27)21-17(24)14-8-3-4-9-15(14)22(25)26/h3-11H,1-2H3,(H,19,23)(H2,20,21,24,27)