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

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

Click to see the large picture

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

InChI

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