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

Systemtic Name: 2-[4-[[1,3-bis(oxidanylidene)-1-phenylazanyl-butan-2-yl]diazenyl]phenyl]-6-methyl-3H-1,3-benzothiazole-2-sulfonic acid Openeye Name: 6-methyl-2-[4-[2-oxo-1-(phenylcarbamoyl)propyl]azophenyl]-3H-1,3-benzothiazole-2-sulfonic acid CAS Name: 2-[4-(1-anilino-1,3-dioxobutan-2-yl)azophenyl]-6-methyl-3H-1,3-benzothiazole-2-sulfonic acid IUPAC Name: 2-[4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]phenyl]-6-methyl-3H-1,3-benzothiazole-2-sulfonic acid Traditional Name: 2-[4-[2-keto-1-(phenylcarbamoyl)propyl]azophenyl]-6-methyl-3H-1,3-benzothiazole-2-sulfonic acid Formula: C24H22N4O5S2 MolecularWeight: 510.58528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(S2)(C3=CC=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=CC=C4)S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)NC(S2)(C3=CC=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=CC=C4)S(=O)(=O)O

InChI

InChI=1S/C24H22N4O5S2/c1-15-8-13-20-21(14-15)34-24(26-20,35(31,32)33)17-9-11-19(12-10-17)27-28-22(16(2)29)23(30)25-18-6-4-3-5-7-18/h3-14,22,26H,1-2H3,(H,25,30)(H,31,32,33)