3,5-dinitro-N-[[2-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[[2-[(phenylmethyl)carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(benzylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[[2-[oxo-[(phenylmethyl)amino]methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(benzylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[2-(benzylcarbamoyl)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C22H17N5O6S MolecularWeight: 479.46528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O6S/c28-20(15-10-16(26(30)31)12-17(11-15)27(32)33)25-22(34)24-19-9-5-4-8-18(19)21(29)23-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,23,29)(H2,24,25,28,34)