N-hexyl-1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-hexyl-1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide Openeye Name: 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-hexyl-pyrrolidine-2-carboxamide CAS Name: N-hexyl-1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-hexylpyrrolidine-2-carboxamide Traditional Name: 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-hexyl-pyrrolidine-2-carboxamide Formula: C20H28N4OS MolecularWeight: 372.52752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1CCCN1C2=NC(=NS2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCNC(=O)C1CCCN1C2=NC(=NS2)CC3=CC=CC=C3

InChI

InChI=1S/C20H28N4OS/c1-2-3-4-8-13-21-19(25)17-12-9-14-24(17)20-22-18(23-26-20)15-16-10-6-5-7-11-16/h5-7,10-11,17H,2-4,8-9,12-15H2,1H3,(H,21,25)