methyl N-[6-[4-[(2-nitrophenyl)carbonylamino]phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate

Systemtic Name: methyl N-[6-[4-[(2-nitrophenyl)carbonylamino]phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate Openeye Name: methyl N-[6-[4-[(2-nitrobenzoyl)amino]phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate CAS Name: N-[6-[[4-[[(2-nitrophenyl)-oxomethyl]amino]phenyl]thio]-1H-benzimidazol-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[6-[4-[(2-nitrobenzoyl)amino]phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate Traditional Name: N-[6-[[4-[(2-nitrobenzoyl)amino]phenyl]thio]-1H-benzimidazol-2-yl]carbamic acid methyl ester Formula: C22H17N5O5S MolecularWeight: 463.46588

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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)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H17N5O5S/c1-32-22(29)26-21-24-17-11-10-15(12-18(17)25-21)33-14-8-6-13(7-9-14)23-20(28)16-4-2-3-5-19(16)27(30)31/h2-12H,1H3,(H,23,28)(H2,24,25,26,29)