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

Systemtic Name: 3-(2-bromanyl-4,5-dimethoxy-phenyl)-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 3-(2-bromo-4,5-dimethoxy-phenyl)-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 3-(2-bromo-4,5-dimethoxyphenyl)-N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 3-(2-bromo-4,5-dimethoxyphenyl)-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 3-(2-bromo-4,5-dimethoxy-phenyl)-N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]propionamide Formula: C17H22BrN3O3S2 MolecularWeight: 460.40888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)NC(=O)CCC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

CCCCSC1=NN=C(S1)NC(=O)CCC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C17H22BrN3O3S2/c1-4-5-8-25-17-21-20-16(26-17)19-15(22)7-6-11-9-13(23-2)14(24-3)10-12(11)18/h9-10H,4-8H2,1-3H3,(H,19,20,22)