3,5-dinitro-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide Openeye Name: N-[(2-isopropylphenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[(2-propan-2-ylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide Traditional Name: 3,5-dinitro-N-(o-cumenylthiocarbamoyl)benzamide Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O5S/c1-10(2)14-5-3-4-6-15(14)18-17(27)19-16(22)11-7-12(20(23)24)9-13(8-11)21(25)26/h3-10H,1-2H3,(H2,18,19,22,27)