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

Systemtic Name: 3-(3-bromanyl-4-methoxy-phenyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 3-(3-bromo-4-methoxy-phenyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 3-(3-bromo-4-methoxyphenyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide IUPAC Name: 3-(3-bromo-4-methoxyphenyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)propionamide Formula: C16H20BrN3O2S MolecularWeight: 398.3179

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)CCC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)CCC2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C16H20BrN3O2S/c1-3-4-5-15-19-20-16(23-15)18-14(21)9-7-11-6-8-13(22-2)12(17)10-11/h6,8,10H,3-5,7,9H2,1-2H3,(H,18,20,21)