N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[4-(isobutyrylamino)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C18H17N5O6S MolecularWeight: 431.42248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O6S/c1-10(2)16(24)19-12-3-5-13(6-4-12)20-18(30)21-17(25)11-7-14(22(26)27)9-15(8-11)23(28)29/h3-10H,1-2H3,(H,19,24)(H2,20,21,25,30)