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

Systemtic Name: N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]-4-phenyl-benzamide Formula: C21H15ClN4O4S MolecularWeight: 454.8862

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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(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN4O4S/c22-17-11-10-16(12-18(17)26(29)30)20(28)24-25-21(31)23-19(27)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,24,28)(H2,23,25,27,31)