N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanamide

Systemtic Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanamide Openeye Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanamide CAS Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]pentanamide IUPAC Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanamide Traditional Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]valeramide Formula: C22H21BrF3N5O2S MolecularWeight: 556.39865

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)Br)NC(=O)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)Br)NC(=O)NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C22H21BrF3N5O2S/c1-3-12(2)17(28-20(33)27-16-10-6-14(7-11-16)22(24,25)26)18(32)29-21-31-30-19(34-21)13-4-8-15(23)9-5-13/h4-12,17H,3H2,1-2H3,(H2,27,28,33)(H,29,31,32)