1-(3-fluoranyl-4-methyl-phenyl)-3-[2-(phenylsulfonylamino)-1,3-benzothiazol-5-yl]urea

Systemtic Name: 1-(3-fluoranyl-4-methyl-phenyl)-3-[2-(phenylsulfonylamino)-1,3-benzothiazol-5-yl]urea Openeye Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(3-fluoro-4-methyl-phenyl)urea CAS Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(3-fluoro-4-methylphenyl)urea IUPAC Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(3-fluoro-4-methylphenyl)urea Traditional Name: 1-[2-(benzenesulfonamido)-1,3-benzothiazol-5-yl]-3-(3-fluoro-4-methyl-phenyl)urea Formula: C21H17FN4O3S2 MolecularWeight: 456.513083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=CC3=C(C=C2)SC(=N3)NS(=O)(=O)C4=CC=CC=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=CC3=C(C=C2)SC(=N3)NS(=O)(=O)C4=CC=CC=C4)F

InChI

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