N-[1-[[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]octanamide

Systemtic Name: N-[1-[[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]octanamide Openeye Name: N-[1-benzyl-2-[[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxo-ethyl]octanamide CAS Name: N-[1-[[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]octanamide IUPAC Name: N-[1-[[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]octanamide Traditional Name: N-[1-benzyl-2-[[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-2-keto-ethyl]caprylamide Formula: C25H29BrN4O2S MolecularWeight: 529.49236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=NN=C(S2)C3=CC(=CC=C3)Br

Isomeric SMILES

CCCCCCCC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=NN=C(S2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C25H29BrN4O2S/c1-2-3-4-5-9-15-22(31)27-21(16-18-11-7-6-8-12-18)23(32)28-25-30-29-24(33-25)19-13-10-14-20(26)17-19/h6-8,10-14,17,21H,2-5,9,15-16H2,1H3,(H,27,31)(H,28,30,32)