4-nitro-N-[10-[(4-nitrophenyl)carbonylcarbamothioylamino]decylcarbamothioyl]benzamide

Systemtic Name: 4-nitro-N-[10-[(4-nitrophenyl)carbonylcarbamothioylamino]decylcarbamothioyl]benzamide Openeye Name: 4-nitro-N-[10-[(4-nitrobenzoyl)carbamothioylamino]decylcarbamothioyl]benzamide CAS Name: 4-nitro-N-[[10-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]decylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-nitro-N-[10-[(4-nitrobenzoyl)carbamothioylamino]decylcarbamothioyl]benzamide Traditional Name: 4-nitro-N-[10-[(4-nitrobenzoyl)thiocarbamoylamino]decylthiocarbamoyl]benzamide Formula: C26H32N6O6S2 MolecularWeight: 588.69888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N6O6S2/c33-23(19-9-13-21(14-10-19)31(35)36)29-25(39)27-17-7-5-3-1-2-4-6-8-18-28-26(40)30-24(34)20-11-15-22(16-12-20)32(37)38/h9-16H,1-8,17-18H2,(H2,27,29,33,39)(H2,28,30,34,40)