1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(4-bromanyl-2-fluoranyl-phenyl)urea

Systemtic Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(4-bromanyl-2-fluoranyl-phenyl)urea Openeye Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(4-bromo-2-fluoro-phenyl)urea CAS Name: 1-[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]-3-(4-bromo-2-fluorophenyl)urea IUPAC Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(4-bromo-2-fluorophenyl)urea Traditional Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(4-bromo-2-fluoro-phenyl)urea Formula: C15H17BrFN5OS MolecularWeight: 414.295783

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(S2)NC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(S2)NC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C15H17BrFN5OS/c16-10-5-6-12(11(17)9-10)18-13(23)19-14-20-21-15(24-14)22-7-3-1-2-4-8-22/h5-6,9H,1-4,7-8H2,(H2,18,19,20,23)