N-[[4-[(2-methylphenyl)carbonylamino]phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[4-[(2-methylphenyl)carbonylamino]phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-[[(2-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: 3,5-dinitro-N-[[4-(o-toluoylamino)phenyl]thiocarbamoyl]benzamide Formula: C22H17N5O6S MolecularWeight: 479.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O6S/c1-13-4-2-3-5-19(13)21(29)23-15-6-8-16(9-7-15)24-22(34)25-20(28)14-10-17(26(30)31)12-18(11-14)27(32)33/h2-12H,1H3,(H,23,29)(H2,24,25,28,34)