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

Systemtic Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(cyclohexylcarbamoylamino)-3-methyl-pentanamide Openeye Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(cyclohexylcarbamoylamino)-3-methyl-pentanamide CAS Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[[(cyclohexylamino)-oxomethyl]amino]-3-methylpentanamide IUPAC Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(cyclohexylcarbamoylamino)-3-methylpentanamide Traditional Name: N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(cyclohexylcarbamoylamino)-3-methyl-valeramide Formula: C21H28BrN5O2S MolecularWeight: 494.44832

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC(=CC=C2)Br)NC(=O)NC3CCCCC3

Isomeric SMILES

CCC(C)C(C(=O)NC1=NN=C(S1)C2=CC(=CC=C2)Br)NC(=O)NC3CCCCC3

InChI

InChI=1S/C21H28BrN5O2S/c1-3-13(2)17(24-20(29)23-16-10-5-4-6-11-16)18(28)25-21-27-26-19(30-21)14-8-7-9-15(22)12-14/h7-9,12-13,16-17H,3-6,10-11H2,1-2H3,(H2,23,24,29)(H,25,27,28)