4-nitro-N-[(4-nitrophenyl)carbonylcarbamothioylcarbamothioylcarbamothioyl]benzamide

Systemtic Name: 4-nitro-N-[(4-nitrophenyl)carbonylcarbamothioylcarbamothioylcarbamothioyl]benzamide Openeye Name: 4-nitro-N-[(4-nitrobenzoyl)carbamothioylcarbamothioylcarbamothioyl]benzamide CAS Name: 4-nitro-N-[[[[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-sulfanylidenemethyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-nitro-N-[(4-nitrobenzoyl)carbamothioylcarbamothioylcarbamothioyl]benzamide Traditional Name: 4-nitro-N-[(4-nitrobenzoyl)thiocarbamoylthiocarbamoylthiocarbamoyl]benzamide Formula: C17H12N6O6S3 MolecularWeight: 492.50878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N6O6S3/c24-13(9-1-5-11(6-2-9)22(26)27)18-15(30)20-17(32)21-16(31)19-14(25)10-3-7-12(8-4-10)23(28)29/h1-8H,(H4,18,19,20,21,24,25,30,31,32)