N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[2-(2-naphthyloxy)propanoylamino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[2-(2-naphthalenyloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[2-(2-naphthoxy)propanoylamino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C21H17N5O7S MolecularWeight: 483.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)NNC(=S)NC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H17N5O7S/c1-12(33-18-7-6-13-4-2-3-5-14(13)10-18)19(27)23-24-21(34)22-20(28)15-8-16(25(29)30)11-17(9-15)26(31)32/h2-12H,1H3,(H,23,27)(H2,22,24,28,34)