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

Systemtic Name: 1-[4-(3-azanyl-1,2-benzothiazol-4-yl)phenyl]-3-(2-fluoranyl-5-methyl-phenyl)urea Openeye Name: 1-[4-(3-amino-1,2-benzothiazol-4-yl)phenyl]-3-(2-fluoro-5-methyl-phenyl)urea CAS Name: 1-[4-(3-amino-1,2-benzothiazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea IUPAC Name: 1-[4-(3-amino-1,2-benzothiazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea Traditional Name: 1-[4-(3-amino-1,2-benzothiazol-4-yl)phenyl]-3-(2-fluoro-5-methyl-phenyl)urea Formula: C21H17FN4OS MolecularWeight: 392.449283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)SN=C4N

Isomeric SMILES

CC1=CC(=C(C=C1)F)NC(=O)NC2=CC=C(C=C2)C3=C4C(=CC=C3)SN=C4N

InChI

InChI=1S/C21H17FN4OS/c1-12-5-10-16(22)17(11-12)25-21(27)24-14-8-6-13(7-9-14)15-3-2-4-18-19(15)20(23)26-28-18/h2-11H,1H3,(H2,23,26)(H2,24,25,27)