N-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[2-[(2-methoxyethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[2-(2-methoxyethylcarbamoyl)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C18H17N5O7S MolecularWeight: 447.42188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O7S/c1-30-7-6-19-17(25)14-4-2-3-5-15(14)20-18(31)21-16(24)11-8-12(22(26)27)10-13(9-11)23(28)29/h2-5,8-10H,6-7H2,1H3,(H,19,25)(H2,20,21,24,31)