3-(2-bromanyl-4,5-dimethoxy-phenyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide

Systemtic Name: 3-(2-bromanyl-4,5-dimethoxy-phenyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 3-(2-bromo-4,5-dimethoxy-phenyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 3-(2-bromo-4,5-dimethoxyphenyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide IUPAC Name: 3-(2-bromo-4,5-dimethoxyphenyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 3-(2-bromo-4,5-dimethoxy-phenyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propionamide Formula: C17H22BrN3O3S MolecularWeight: 428.34388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)CCC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)CCC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C17H22BrN3O3S/c1-4-5-6-16-20-21-17(25-16)19-15(22)8-7-11-9-13(23-2)14(24-3)10-12(11)18/h9-10H,4-8H2,1-3H3,(H,19,21,22)