N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-(2-methoxyethoxy)anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[4-(2-methoxyethoxy)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C17H16N4O7S MolecularWeight: 420.39654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O7S/c1-27-6-7-28-15-4-2-12(3-5-15)18-17(29)19-16(22)11-8-13(20(23)24)10-14(9-11)21(25)26/h2-5,8-10H,6-7H2,1H3,(H2,18,19,22,29)