2-nitro-N-[4-[(2-nitrophenyl)carbonylcarbamothioylamino]butylcarbamothioyl]benzamide

Systemtic Name: 2-nitro-N-[4-[(2-nitrophenyl)carbonylcarbamothioylamino]butylcarbamothioyl]benzamide Openeye Name: 2-nitro-N-[4-[(2-nitrobenzoyl)carbamothioylamino]butylcarbamothioyl]benzamide CAS Name: 2-nitro-N-[[4-[[[[(2-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]butylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-nitro-N-[4-[(2-nitrobenzoyl)carbamothioylamino]butylcarbamothioyl]benzamide Traditional Name: 2-nitro-N-[4-[(2-nitrobenzoyl)thiocarbamoylamino]butylthiocarbamoyl]benzamide Formula: C20H20N6O6S2 MolecularWeight: 504.5394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6O6S2/c27-17(13-7-1-3-9-15(13)25(29)30)23-19(33)21-11-5-6-12-22-20(34)24-18(28)14-8-2-4-10-16(14)26(31)32/h1-4,7-10H,5-6,11-12H2,(H2,21,23,27,33)(H2,22,24,28,34)