N-[4-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]phenyl]sulfonylbenzamide

Systemtic Name: N-[4-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]phenyl]sulfonylbenzamide Openeye Name: N-[4-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]phenyl]sulfonylbenzamide CAS Name: N-[4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]amino]phenyl]sulfonylbenzamide IUPAC Name: N-[4-[(2-methoxy-4-nitrophenyl)carbamothioylamino]phenyl]sulfonylbenzamide Traditional Name: N-[4-[(2-methoxy-4-nitro-phenyl)thiocarbamoylamino]phenyl]sulfonylbenzamide Formula: C21H18N4O6S2 MolecularWeight: 486.52082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18N4O6S2/c1-31-19-13-16(25(27)28)9-12-18(19)23-21(32)22-15-7-10-17(11-8-15)33(29,30)24-20(26)14-5-3-2-4-6-14/h2-13H,1H3,(H,24,26)(H2,22,23,32)