3,5-dinitro-N-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[3-(isopropylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[[3-[oxo-(propan-2-ylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[3-(isopropylcarbamoyl)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C18H17N5O6S MolecularWeight: 431.42248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O6S/c1-10(2)19-16(24)11-4-3-5-13(6-11)20-18(30)21-17(25)12-7-14(22(26)27)9-15(8-12)23(28)29/h3-10H,1-2H3,(H,19,24)(H2,20,21,25,30)