methyl N-[6-[4-[(2-fluoranyl-5-nitro-phenyl)carbamoylamino]phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate

Systemtic Name: methyl N-[6-[4-[(2-fluoranyl-5-nitro-phenyl)carbamoylamino]phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate Openeye Name: methyl N-[6-[4-[(2-fluoro-5-nitro-phenyl)carbamoylamino]phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate CAS Name: N-[6-[[4-[[(2-fluoro-5-nitroanilino)-oxomethyl]amino]phenyl]thio]-1H-benzimidazol-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[6-[4-[(2-fluoro-5-nitrophenyl)carbamoylamino]phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate Traditional Name: N-[6-[[4-[(2-fluoro-5-nitro-phenyl)carbamoylamino]phenyl]thio]-1H-benzimidazol-2-yl]carbamic acid methyl ester Formula: C22H17FN6O5S MolecularWeight: 496.470983

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=C(C=C3)NC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])F

Isomeric SMILES

COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=C(C=C3)NC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])F

InChI

InChI=1S/C22H17FN6O5S/c1-34-22(31)28-20-25-17-9-7-15(11-19(17)26-20)35-14-5-2-12(3-6-14)24-21(30)27-18-10-13(29(32)33)4-8-16(18)23/h2-11H,1H3,(H2,24,27,30)(H2,25,26,28,31)