2-(5-isothiocyanato-2-phenyl-1H-indol-3-yl)-N-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexyl]-2-oxidanylidene-ethanamide

Systemtic Name: 2-(5-isothiocyanato-2-phenyl-1H-indol-3-yl)-N-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexyl]-2-oxidanylidene-ethanamide Openeye Name: 2-(5-isothiocyanato-2-phenyl-1H-indol-3-yl)-N-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexyl]-2-oxo-acetamide CAS Name: 2-(5-isothiocyanato-2-phenyl-1H-indol-3-yl)-N-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexyl]-2-oxoacetamide IUPAC Name: 2-(5-isothiocyanato-2-phenyl-1H-indol-3-yl)-N-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexyl]-2-oxoacetamide Traditional Name: 2-(5-isothiocyanato-2-phenyl-1H-indol-3-yl)-2-keto-N-[6-[(7-nitrobenzofurazan-4-yl)amino]hexyl]acetamide Formula: C29H25N7O5S MolecularWeight: 583.6177

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)N=C=S)C(=O)C(=O)NCCCCCCNC4=CC=C(C5=NON=C45)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)N=C=S)C(=O)C(=O)NCCCCCCNC4=CC=C(C5=NON=C45)[N+](=O)[O-]

InChI

InChI=1S/C29H25N7O5S/c37-28(24-20-16-19(32-17-42)10-11-21(20)33-25(24)18-8-4-3-5-9-18)29(38)31-15-7-2-1-6-14-30-22-12-13-23(36(39)40)27-26(22)34-41-35-27/h3-5,8-13,16,30,33H,1-2,6-7,14-15H2,(H,31,38)