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

Systemtic Name: 4-nitro-N-[2-[(4-nitrophenyl)carbonylcarbamothioylamino]ethylcarbamothioyl]benzamide Openeye Name: 4-nitro-N-[2-[(4-nitrobenzoyl)carbamothioylamino]ethylcarbamothioyl]benzamide CAS Name: 4-nitro-N-[[2-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]ethylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-nitro-N-[2-[(4-nitrobenzoyl)carbamothioylamino]ethylcarbamothioyl]benzamide Traditional Name: 4-nitro-N-[2-[(4-nitrobenzoyl)thiocarbamoylamino]ethylthiocarbamoyl]benzamide Formula: C18H16N6O6S2 MolecularWeight: 476.48624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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