3,5-dinitro-N-[(3-prop-2-enoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[(3-prop-2-enoxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(3-allyloxyphenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[(3-prop-2-enoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[(3-prop-2-enoxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(3-allyloxyphenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C17H14N4O6S MolecularWeight: 402.38126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C=CCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O6S/c1-2-6-27-15-5-3-4-12(9-15)18-17(28)19-16(22)11-7-13(20(23)24)10-14(8-11)21(25)26/h2-5,7-10H,1,6H2,(H2,18,19,22,28)