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

Systemtic Name: 3-(3-bromanyl-4-methoxy-phenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 3-(3-bromo-4-methoxy-phenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 3-(3-bromo-4-methoxyphenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)propanamide IUPAC Name: 3-(3-bromo-4-methoxyphenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)propionamide Formula: C18H22BrN3O2S MolecularWeight: 424.35518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC2=NN=C(S2)C3CCCCC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC2=NN=C(S2)C3CCCCC3)Br

InChI

InChI=1S/C18H22BrN3O2S/c1-24-15-9-7-12(11-14(15)19)8-10-16(23)20-18-22-21-17(25-18)13-5-3-2-4-6-13/h7,9,11,13H,2-6,8,10H2,1H3,(H,20,22,23)