3-nitro-N-[10-[(3-nitrophenyl)carbonylcarbamothioylamino]decylcarbamothioyl]benzamide

Systemtic Name: 3-nitro-N-[10-[(3-nitrophenyl)carbonylcarbamothioylamino]decylcarbamothioyl]benzamide Openeye Name: 3-nitro-N-[10-[(3-nitrobenzoyl)carbamothioylamino]decylcarbamothioyl]benzamide CAS Name: 3-nitro-N-[[10-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]decylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-[10-[(3-nitrobenzoyl)carbamothioylamino]decylcarbamothioyl]benzamide Traditional Name: 3-nitro-N-[10-[(3-nitrobenzoyl)thiocarbamoylamino]decylthiocarbamoyl]benzamide Formula: C26H32N6O6S2 MolecularWeight: 588.69888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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