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

Systemtic Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(propanoylamino)pentanamide Openeye Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(propanoylamino)pentanamide CAS Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(1-oxopropylamino)pentanamide IUPAC Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(propanoylamino)pentanamide Traditional Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-propionamido-valeramide Formula: C17H21BrN4O2S MolecularWeight: 425.34324

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN4O2S/c1-4-10(3)14(19-13(23)5-2)15(24)20-17-22-21-16(25-17)11-6-8-12(18)9-7-11/h6-10,14H,4-5H2,1-3H3,(H,19,23)(H,20,22,24)