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

Systemtic Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(4-bromanyl-3-methyl-phenyl)urea Openeye Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(4-bromo-3-methyl-phenyl)urea CAS Name: 1-[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]-3-(4-bromo-3-methylphenyl)urea IUPAC Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(4-bromo-3-methylphenyl)urea Traditional Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-3-(4-bromo-3-methyl-phenyl)urea Formula: C16H20BrN5OS MolecularWeight: 410.3319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)NC2=NN=C(S2)N3CCCCCC3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)NC2=NN=C(S2)N3CCCCCC3)Br

InChI

InChI=1S/C16H20BrN5OS/c1-11-10-12(6-7-13(11)17)18-14(23)19-15-20-21-16(24-15)22-8-4-2-3-5-9-22/h6-7,10H,2-5,8-9H2,1H3,(H2,18,19,20,23)