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

Systemtic Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(2-chloranylpropanoylamino)-3-methyl-pentanamide Openeye Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(2-chloropropanoylamino)-3-methyl-pentanamide CAS Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-chloro-1-oxopropyl)amino]-3-methylpentanamide IUPAC Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(2-chloropropanoylamino)-3-methylpentanamide Traditional Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(2-chloropropanoylamino)-3-methyl-valeramide Formula: C17H20BrClN4O2S MolecularWeight: 459.7883

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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)C(C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrClN4O2S/c1-4-9(2)13(20-14(24)10(3)19)15(25)21-17-23-22-16(26-17)11-5-7-12(18)8-6-11/h5-10,13H,4H2,1-3H3,(H,20,24)(H,21,23,25)