2-nitro-N-[2-[(2-nitrophenyl)carbonylcarbamothioylamino]ethylcarbamothioyl]benzamide

Systemtic Name: 2-nitro-N-[2-[(2-nitrophenyl)carbonylcarbamothioylamino]ethylcarbamothioyl]benzamide Openeye Name: 2-nitro-N-[2-[(2-nitrobenzoyl)carbamothioylamino]ethylcarbamothioyl]benzamide CAS Name: 2-nitro-N-[[2-[[[[(2-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]ethylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-nitro-N-[2-[(2-nitrobenzoyl)carbamothioylamino]ethylcarbamothioyl]benzamide Traditional Name: 2-nitro-N-[2-[(2-nitrobenzoyl)thiocarbamoylamino]ethylthiocarbamoyl]benzamide Formula: C18H16N6O6S2 MolecularWeight: 476.48624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N6O6S2/c25-15(11-5-1-3-7-13(11)23(27)28)21-17(31)19-9-10-20-18(32)22-16(26)12-6-2-4-8-14(12)24(29)30/h1-8H,9-10H2,(H2,19,21,25,31)(H2,20,22,26,32)