N-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[[2-[(1-bromo-2-naphthyl)oxy]acetyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[2-[(1-bromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[[2-(1-bromo-2-naphthoxy)acetyl]amino]thiocarbamoyl]-3-nitro-benzamide Formula: C20H15BrN4O5S MolecularWeight: 503.3259

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2Br)OCC(=O)NNC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2Br)OCC(=O)NNC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H15BrN4O5S/c21-18-15-7-2-1-4-12(15)8-9-16(18)30-11-17(26)23-24-20(31)22-19(27)13-5-3-6-14(10-13)25(28)29/h1-10H,11H2,(H,23,26)(H2,22,24,27,31)