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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

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