4-nitro-N-[2-[3-[(4-nitrophenyl)carbonylamino]phenyl]-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 4-nitro-N-[2-[3-[(4-nitrophenyl)carbonylamino]phenyl]-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-nitro-N-[2-[3-[(4-nitrobenzoyl)amino]phenyl]-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-nitro-N-[2-[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-nitro-N-[2-[3-[(4-nitrobenzoyl)amino]phenyl]-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-nitro-N-[2-[3-[(4-nitrobenzoyl)amino]phenyl]-1,3-benzothiazol-6-yl]benzamide Formula: C27H17N5O6S MolecularWeight: 539.51878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=C(S3)C=C(C=C4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=C(S3)C=C(C=C4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H17N5O6S/c33-25(16-4-9-21(10-5-16)31(35)36)28-19-3-1-2-18(14-19)27-30-23-13-8-20(15-24(23)39-27)29-26(34)17-6-11-22(12-7-17)32(37)38/h1-15H,(H,28,33)(H,29,34)