1-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-3-[(4-fluorophenyl)methyl]urea

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-3-[(4-fluorophenyl)methyl]urea Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-3-[(4-fluorophenyl)methyl]urea CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-[(4-fluorophenyl)methyl]urea IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-[(4-fluorophenyl)methyl]urea Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]-3-(4-fluorobenzyl)urea Formula: C22H18FN3OS MolecularWeight: 391.461223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FN3OS/c1-14-12-16(21-25-19-4-2-3-5-20(19)28-21)8-11-18(14)26-22(27)24-13-15-6-9-17(23)10-7-15/h2-12H,13H2,1H3,(H2,24,26,27)