4-nitro-N-[2,2,2-tris(chloranyl)-1-[(4-chloranyl-2,6-dinitro-phenyl)carbamothioylamino]ethyl]benzamide

Systemtic Name: 4-nitro-N-[2,2,2-tris(chloranyl)-1-[(4-chloranyl-2,6-dinitro-phenyl)carbamothioylamino]ethyl]benzamide Openeye Name: 4-nitro-N-[2,2,2-trichloro-1-[(4-chloro-2,6-dinitro-phenyl)carbamothioylamino]ethyl]benzamide CAS Name: 4-nitro-N-[2,2,2-trichloro-1-[[(4-chloro-2,6-dinitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide IUPAC Name: 4-nitro-N-[2,2,2-trichloro-1-[(4-chloro-2,6-dinitrophenyl)carbamothioylamino]ethyl]benzamide Traditional Name: 4-nitro-N-[2,2,2-trichloro-1-[(4-chloro-2,6-dinitro-phenyl)thiocarbamoylamino]ethyl]benzamide Formula: C16H10Cl4N6O7S MolecularWeight: 572.1636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C=C(C=C2[N+](=O)[O-])Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C=C(C=C2[N+](=O)[O-])Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H10Cl4N6O7S/c17-8-5-10(25(30)31)12(11(6-8)26(32)33)21-15(34)23-14(16(18,19)20)22-13(27)7-1-3-9(4-2-7)24(28)29/h1-6,14H,(H,22,27)(H2,21,23,34)