N-[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[N-methyl-2-[oxo-(phenethylamino)methyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[methyl-[2-(phenethylcarbamoyl)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C24H21N5O6S MolecularWeight: 507.51844

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H21N5O6S/c1-27(24(36)26-22(30)17-13-18(28(32)33)15-19(14-17)29(34)35)21-10-6-5-9-20(21)23(31)25-12-11-16-7-3-2-4-8-16/h2-10,13-15H,11-12H2,1H3,(H,25,31)(H,26,30,36)