N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(4-methyl-3-propionamido-phenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C18H17N5O6S MolecularWeight: 431.42248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O6S/c1-3-16(24)20-15-8-12(5-4-10(15)2)19-18(30)21-17(25)11-6-13(22(26)27)9-14(7-11)23(28)29/h4-9H,3H2,1-2H3,(H,20,24)(H2,19,21,25,30)