3,5-dinitro-N-[(4-prop-2-enoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[(4-prop-2-enoxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(4-allyloxyphenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[(4-prop-2-enoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[(4-prop-2-enoxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(4-allyloxyphenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C17H14N4O6S MolecularWeight: 402.38126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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