1-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]-3-phenyl-urea

Systemtic Name: 1-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]-3-phenyl-urea Openeye Name: 1-[4-methyl-2-(p-tolylsulfonylamino)-1,3-benzothiazol-6-yl]-3-phenyl-urea CAS Name: 1-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]-3-phenylurea IUPAC Name: 1-[4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]-3-phenylurea Traditional Name: 1-[4-methyl-2-(tosylamino)-1,3-benzothiazol-6-yl]-3-phenyl-urea Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3C)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3C)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O3S2/c1-14-8-10-18(11-9-14)31(28,29)26-22-25-20-15(2)12-17(13-19(20)30-22)24-21(27)23-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,25,26)(H2,23,24,27)