2-[[3-methyl-4-(1-phenylpropan-2-ylamino)phenyl]diazenyl]-1,3-benzothiazole-5-sulfonic acid

Systemtic Name: 2-[[3-methyl-4-(1-phenylpropan-2-ylamino)phenyl]diazenyl]-1,3-benzothiazole-5-sulfonic acid Openeye Name: 2-[3-methyl-4-[(1-methyl-2-phenyl-ethyl)amino]phenyl]azo-1,3-benzothiazole-5-sulfonic acid CAS Name: 2-[3-methyl-4-(1-phenylpropan-2-ylamino)phenyl]azo-1,3-benzothiazole-5-sulfonic acid IUPAC Name: 2-[[3-methyl-4-(1-phenylpropan-2-ylamino)phenyl]diazenyl]-1,3-benzothiazole-5-sulfonic acid Traditional Name: 2-[3-methyl-4-[(1-methyl-2-phenyl-ethyl)amino]phenyl]azo-1,3-benzothiazole-5-sulfonic acid Formula: C23H22N4O3S2 MolecularWeight: 466.57578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N=NC2=NC3=C(S2)C=CC(=C3)S(=O)(=O)O)NC(C)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)N=NC2=NC3=C(S2)C=CC(=C3)S(=O)(=O)O)NC(C)CC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O3S2/c1-15-12-18(8-10-20(15)24-16(2)13-17-6-4-3-5-7-17)26-27-23-25-21-14-19(32(28,29)30)9-11-22(21)31-23/h3-12,14,16,24H,13H2,1-2H3,(H,28,29,30)