N-[2-[(5-bromanyl-7-nitro-1,2-benzothiazol-4-yl)diazenyl]-5-(diethylamino)phenyl]-2-phenoxy-ethanamide

Systemtic Name: N-[2-[(5-bromanyl-7-nitro-1,2-benzothiazol-4-yl)diazenyl]-5-(diethylamino)phenyl]-2-phenoxy-ethanamide Openeye Name: N-[2-[(5-bromo-7-nitro-1,2-benzothiazol-4-yl)azo]-5-(diethylamino)phenyl]-2-phenoxy-acetamide CAS Name: N-[2-[(5-bromo-7-nitro-1,2-benzothiazol-4-yl)azo]-5-(diethylamino)phenyl]-2-phenoxyacetamide IUPAC Name: N-[2-[(5-bromo-7-nitro-1,2-benzothiazol-4-yl)diazenyl]-5-(diethylamino)phenyl]-2-phenoxyacetamide Traditional Name: N-[2-[(5-bromo-7-nitro-1,2-benzothiazol-4-yl)azo]-5-(diethylamino)phenyl]-2-phenoxy-acetamide Formula: C25H23BrN6O4S MolecularWeight: 583.45692

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C3=C2C=NS3)[N+](=O)[O-])Br)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C3=C2C=NS3)[N+](=O)[O-])Br)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C25H23BrN6O4S/c1-3-31(4-2)16-10-11-20(21(12-16)28-23(33)15-36-17-8-6-5-7-9-17)29-30-24-18-14-27-37-25(18)22(32(34)35)13-19(24)26/h5-14H,3-4,15H2,1-2H3,(H,28,33)