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

Systemtic Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-[(phenylmethyl)carbamoylamino]pentanamide Openeye Name: 2-(benzylcarbamoylamino)-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-[[oxo-[(phenylmethyl)amino]methyl]amino]pentanamide IUPAC Name: 2-(benzylcarbamoylamino)-N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide Traditional Name: 2-(benzylcarbamoylamino)-N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-valeramide Formula: C22H24BrN5O2S MolecularWeight: 502.42726

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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)NCC3=CC=CC=C3

Isomeric SMILES

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC=C(C=C2)Br)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H24BrN5O2S/c1-3-14(2)18(25-21(30)24-13-15-7-5-4-6-8-15)19(29)26-22-28-27-20(31-22)16-9-11-17(23)12-10-16/h4-12,14,18H,3,13H2,1-2H3,(H2,24,25,30)(H,26,28,29)