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

Systemtic Name: 1-(3-fluorophenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]urea Openeye Name: 1-(3-fluorophenyl)-3-[2-(p-tolylsulfonylamino)-1,3-benzothiazol-6-yl]urea CAS Name: 1-(3-fluorophenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]urea IUPAC Name: 1-(3-fluorophenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]urea Traditional Name: 1-(3-fluorophenyl)-3-[2-(tosylamino)-1,3-benzothiazol-6-yl]urea Formula: C21H17FN4O3S2 MolecularWeight: 456.513083

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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=C3)NC(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C21H17FN4O3S2/c1-13-5-8-17(9-6-13)31(28,29)26-21-25-18-10-7-16(12-19(18)30-21)24-20(27)23-15-4-2-3-14(22)11-15/h2-12H,1H3,(H,25,26)(H2,23,24,27)