N-[2,2,2-tris(chloranyl)-1-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]ethyl]methanamide

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]ethyl]methanamide Openeye Name: N-[2,2,2-trichloro-1-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]ethyl]formamide CAS Name: N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]formamide IUPAC Name: N-[2,2,2-trichloro-1-[(4-methoxy-2-nitrophenyl)carbamothioylamino]ethyl]formamide Traditional Name: N-[2,2,2-trichloro-1-[(4-methoxy-2-nitro-phenyl)thiocarbamoylamino]ethyl]formamide Formula: C11H11Cl3N4O4S MolecularWeight: 401.65344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC=O)[N+](=O)[O-]

InChI

InChI=1S/C11H11Cl3N4O4S/c1-22-6-2-3-7(8(4-6)18(20)21)16-10(23)17-9(15-5-19)11(12,13)14/h2-5,9H,1H3,(H,15,19)(H2,16,17,23)