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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=NN=C(S2)NC(=O)NC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CC1CCCCN1C2=NN=C(S2)NC(=O)NC3=CC(=C(C=C3)Br)C

InChI

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