N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[(2-nitrobenzoyl)amino]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[[(2-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[(2-nitrobenzoyl)amino]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[(2-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(16-12-10-15(11-13-16)14-6-2-1-3-7-14)22-21(30)24-23-20(27)17-8-4-5-9-18(17)25(28)29/h1-13H,(H,23,27)(H2,22,24,26,30)