1-(2,3-dimethylphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-5-yl]urea

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-5-yl]urea Openeye Name: 1-(2,3-dimethylphenyl)-3-[2-(p-tolylsulfonylamino)-1,3-benzothiazol-5-yl]urea CAS Name: 1-(2,3-dimethylphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-5-yl]urea IUPAC Name: 1-(2,3-dimethylphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-5-yl]urea Traditional Name: 1-(2,3-dimethylphenyl)-3-[2-(tosylamino)-1,3-benzothiazol-5-yl]urea Formula: C23H22N4O3S2 MolecularWeight: 466.57578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=CC(=C3)NC(=O)NC4=CC=CC(=C4C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=CC(=C3)NC(=O)NC4=CC=CC(=C4C)C

InChI

InChI=1S/C23H22N4O3S2/c1-14-7-10-18(11-8-14)32(29,30)27-23-26-20-13-17(9-12-21(20)31-23)24-22(28)25-19-6-4-5-15(2)16(19)3/h4-13H,1-3H3,(H,26,27)(H2,24,25,28)