2,4-bis(chloranyl)-N-[4-[(3-nitrophenyl)carbonylcarbamothioylamino]phenyl]benzamide

Systemtic Name: 2,4-bis(chloranyl)-N-[4-[(3-nitrophenyl)carbonylcarbamothioylamino]phenyl]benzamide Openeye Name: 2,4-dichloro-N-[4-[(3-nitrobenzoyl)carbamothioylamino]phenyl]benzamide CAS Name: 2,4-dichloro-N-[4-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2,4-dichloro-N-[4-[(3-nitrobenzoyl)carbamothioylamino]phenyl]benzamide Traditional Name: 2,4-dichloro-N-[4-[(3-nitrobenzoyl)thiocarbamoylamino]phenyl]benzamide Formula: C21H14Cl2N4O4S MolecularWeight: 489.33126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14Cl2N4O4S/c22-13-4-9-17(18(23)11-13)20(29)24-14-5-7-15(8-6-14)25-21(32)26-19(28)12-2-1-3-16(10-12)27(30)31/h1-11H,(H,24,29)(H2,25,26,28,32)