N-[4-[(3-nitrophenyl)carbamothioylamino]phenyl]sulfonylbenzamide

Systemtic Name: N-[4-[(3-nitrophenyl)carbamothioylamino]phenyl]sulfonylbenzamide Openeye Name: N-[4-[(3-nitrophenyl)carbamothioylamino]phenyl]sulfonylbenzamide CAS Name: N-[4-[[(3-nitroanilino)-sulfanylidenemethyl]amino]phenyl]sulfonylbenzamide IUPAC Name: N-[4-[(3-nitrophenyl)carbamothioylamino]phenyl]sulfonylbenzamide Traditional Name: N-[4-[(3-nitrophenyl)thiocarbamoylamino]phenyl]sulfonylbenzamide Formula: C20H16N4O5S2 MolecularWeight: 456.49484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O5S2/c25-19(14-5-2-1-3-6-14)23-31(28,29)18-11-9-15(10-12-18)21-20(30)22-16-7-4-8-17(13-16)24(26)27/h1-13H,(H,23,25)(H2,21,22,30)