1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide Openeye Name: 1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(1-methyl-3-phenyl-propyl)piperidine-4-carboxamide CAS Name: 1-[5-(2,5-dimethyl-1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-N-(4-phenylbutan-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(4-phenylbutan-2-yl)piperidine-4-carboxamide Traditional Name: 1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(1-methyl-3-phenyl-propyl)isonipecotamide Formula: C24H31N5OS MolecularWeight: 437.60084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=NN=C(S2)N3CCC(CC3)C(=O)NC(C)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(N1C2=NN=C(S2)N3CCC(CC3)C(=O)NC(C)CCC4=CC=CC=C4)C

InChI

InChI=1S/C24H31N5OS/c1-17(9-12-20-7-5-4-6-8-20)25-22(30)21-13-15-28(16-14-21)23-26-27-24(31-23)29-18(2)10-11-19(29)3/h4-8,10-11,17,21H,9,12-16H2,1-3H3,(H,25,30)