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

Systemtic Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(2-phenoxyethanoylamino)pentanamide Openeye Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(2-phenoxyacetyl)amino]pentanamide CAS Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]pentanamide IUPAC Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(2-phenoxyacetyl)amino]pentanamide Traditional Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(2-phenoxyacetyl)amino]valeramide Formula: C22H23BrN4O3S MolecularWeight: 503.41202

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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)COC3=CC=CC=C3

Isomeric SMILES

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)Br)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H23BrN4O3S/c1-3-14(2)19(24-18(28)13-30-17-7-5-4-6-8-17)20(29)25-22-27-26-21(31-22)15-9-11-16(23)12-10-15/h4-12,14,19H,3,13H2,1-2H3,(H,24,28)(H,25,27,29)