3,5-dinitro-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide Openeye Name: 3,5-dinitro-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide CAS Name: 3,5-dinitro-N-[sulfanylidene-(2,4,6-trimethylanilino)methyl]benzamide IUPAC Name: 3,5-dinitro-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide Traditional Name: N-(mesitylthiocarbamoyl)-3,5-dinitro-benzamide Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C17H16N4O5S/c1-9-4-10(2)15(11(3)5-9)18-17(27)19-16(22)12-6-13(20(23)24)8-14(7-12)21(25)26/h4-8H,1-3H3,(H2,18,19,22,27)