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

Systemtic Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(propanoylamino)propanamide Openeye Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(propanoylamino)propanamide CAS Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(1-oxopropylamino)-3-phenylpropanamide IUPAC Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-(propanoylamino)propanamide Traditional Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-propionamido-propionamide Formula: C20H19BrN4O2S MolecularWeight: 459.35946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H19BrN4O2S/c1-2-17(26)22-16(12-13-6-4-3-5-7-13)18(27)23-20-25-24-19(28-20)14-8-10-15(21)11-9-14/h3-11,16H,2,12H2,1H3,(H,22,26)(H,23,25,27)