N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(2-ethyl-6-methylphenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(2-ethyl-6-methyl-phenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C

InChI

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