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

Systemtic Name: [4-[[1,3-bis(oxidanylidene)-1-phenylazanyl-butan-2-yl]diazenyl]phenyl] 6-methyl-1,3-benzothiazole-2-sulfonate Openeye Name: [4-[2-oxo-1-(phenylcarbamoyl)propyl]azophenyl] 6-methyl-1,3-benzothiazole-2-sulfonate CAS Name: 6-methyl-1,3-benzothiazole-2-sulfonic acid [4-(1-anilino-1,3-dioxobutan-2-yl)azophenyl] ester IUPAC Name: [4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]phenyl] 6-methyl-1,3-benzothiazole-2-sulfonate Traditional Name: 6-methyl-1,3-benzothiazole-2-sulfonic acid [4-[2-keto-1-(phenylcarbamoyl)propyl]azophenyl] ester Formula: C24H20N4O5S2 MolecularWeight: 508.5694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)S(=O)(=O)OC3=CC=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)S(=O)(=O)OC3=CC=C(C=C3)N=NC(C(=O)C)C(=O)NC4=CC=CC=C4

InChI

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