2-[4-[[1,3-bis(oxidanylidene)-1-phenylazanyl-butan-2-yl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate

Systemtic Name: 2-[4-[[1,3-bis(oxidanylidene)-1-phenylazanyl-butan-2-yl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate Openeye Name: 6-methyl-2-[4-[2-oxo-1-(phenylcarbamoyl)propyl]azophenyl]-1,3-benzothiazole-7-sulfonate CAS Name: 2-[4-(1-anilino-1,3-dioxobutan-2-yl)azophenyl]-6-methyl-1,3-benzothiazole-7-sulfonate IUPAC Name: 2-[4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate Traditional Name: 2-[4-[2-keto-1-(phenylcarbamoyl)propyl]azophenyl]-6-methyl-1,3-benzothiazole-7-sulfonate Formula: C24H19N4O5S2- MolecularWeight: 507.56146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=CC=C4)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=CC=C4)S(=O)(=O)[O-]

InChI

InChI=1S/C24H20N4O5S2/c1-14-8-13-19-21(22(14)35(31,32)33)34-24(26-19)16-9-11-18(12-10-16)27-28-20(15(2)29)23(30)25-17-6-4-3-5-7-17/h3-13,20H,1-2H3,(H,25,30)(H,31,32,33)/p-1