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

Systemtic Name: N-[[4-[ethanoyl(methyl)amino]phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-[acetyl(methyl)amino]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[4-[acetyl(methyl)amino]phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C17H15N5O6S MolecularWeight: 417.3959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O6S/c1-10(23)20(2)13-5-3-12(4-6-13)18-17(29)19-16(24)11-7-14(21(25)26)9-15(8-11)22(27)28/h3-9H,1-2H3,(H2,18,19,24,29)