N-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[[[4-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[[4-(isobutyrylamino)benzoyl]amino]thiocarbamoyl]-2-nitro-benzamide Formula: C19H19N5O5S MolecularWeight: 429.44966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O5S/c1-11(2)16(25)20-13-9-7-12(8-10-13)17(26)22-23-19(30)21-18(27)14-5-3-4-6-15(14)24(28)29/h3-11H,1-2H3,(H,20,25)(H,22,26)(H2,21,23,27,30)