5-[[2-(4-bromanylphenoxy)ethyl-methyl-amino]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-[[2-(4-bromanylphenoxy)ethyl-methyl-amino]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[[2-(4-bromophenoxy)ethyl-methyl-amino]methyl]-N-(p-tolyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[[2-(4-bromophenoxy)ethyl-methylamino]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-[[2-(4-bromophenoxy)ethyl-methylamino]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[[2-(4-bromophenoxy)ethyl-methyl-amino]methyl]-N-(p-tolyl)-1,3,4-thiadiazole-2-carboxamide Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CN(C)CCOC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CN(C)CCOC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrN4O2S/c1-14-3-7-16(8-4-14)22-19(26)20-24-23-18(28-20)13-25(2)11-12-27-17-9-5-15(21)6-10-17/h3-10H,11-13H2,1-2H3,(H,22,26)