2-nitro-N-[10-[(2-nitrophenyl)carbonylcarbamothioylamino]decylcarbamothioyl]benzamide

Systemtic Name: 2-nitro-N-[10-[(2-nitrophenyl)carbonylcarbamothioylamino]decylcarbamothioyl]benzamide Openeye Name: 2-nitro-N-[10-[(2-nitrobenzoyl)carbamothioylamino]decylcarbamothioyl]benzamide CAS Name: 2-nitro-N-[[10-[[[[(2-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]decylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-nitro-N-[10-[(2-nitrobenzoyl)carbamothioylamino]decylcarbamothioyl]benzamide Traditional Name: 2-nitro-N-[10-[(2-nitrobenzoyl)thiocarbamoylamino]decylthiocarbamoyl]benzamide Formula: C26H32N6O6S2 MolecularWeight: 588.69888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N6O6S2/c33-23(19-13-7-9-15-21(19)31(35)36)29-25(39)27-17-11-5-3-1-2-4-6-12-18-28-26(40)30-24(34)20-14-8-10-16-22(20)32(37)38/h7-10,13-16H,1-6,11-12,17-18H2,(H2,27,29,33,39)(H2,28,30,34,40)