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

Systemtic Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(2-phenylmethoxyethanoylamino)pentanamide Openeye Name: 2-[(2-benzyloxyacetyl)amino]-N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-pentanamide CAS Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(1-oxo-2-phenylmethoxyethyl)amino]pentanamide IUPAC Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(2-phenylmethoxyacetyl)amino]pentanamide Traditional Name: 2-[(2-benzoxyacetyl)amino]-N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-valeramide Formula: C23H25BrN4O3S MolecularWeight: 517.4386

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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)COCC3=CC=CC=C3

Isomeric SMILES

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)Br)NC(=O)COCC3=CC=CC=C3

InChI

InChI=1S/C23H25BrN4O3S/c1-3-15(2)20(25-19(29)14-31-13-16-7-5-4-6-8-16)21(30)26-23-28-27-22(32-23)17-9-11-18(24)12-10-17/h4-12,15,20H,3,13-14H2,1-2H3,(H,25,29)(H,26,28,30)