N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[(3-nitrobenzoyl)amino]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[(3-nitrobenzoyl)amino]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[(3-nitrobenzoyl)amino]thiocarbamoyl]-4-phenyl-benzamide Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O4S/c26-19(16-11-9-15(10-12-16)14-5-2-1-3-6-14)22-21(30)24-23-20(27)17-7-4-8-18(13-17)25(28)29/h1-13H,(H,23,27)(H2,22,24,26,30)