N-[[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylamino]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylamino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[[2-[(1,6-dibromo-2-naphthyl)oxy]acetyl]amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[2-[(1,6-dibromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[[2-(1,6-dibromo-2-naphthoxy)acetyl]amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C20H13Br2N5O7S MolecularWeight: 627.21952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2Br)OCC(=O)NNC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C=C1Br

Isomeric SMILES

C1=CC2=C(C=CC(=C2Br)OCC(=O)NNC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C=C1Br

InChI

InChI=1S/C20H13Br2N5O7S/c21-12-2-3-15-10(5-12)1-4-16(18(15)22)34-9-17(28)24-25-20(35)23-19(29)11-6-13(26(30)31)8-14(7-11)27(32)33/h1-8H,9H2,(H,24,28)(H2,23,25,29,35)